2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C30H27ClF9N11 — CID 118905687

IUPAC2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Cl)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2)nc1NC1CC1
InChIInChI=1S/C22H20F6N8.C8H7ClF3N3/c23-21(24,25)15-9-29-19(35-17(15)31-11-1-2-11)33-13-5-7-14(8-6-13)34-20-30-10-16(22(26,27)28)18(36-20)32-12-3-4-12;9-7-13-3-5(8(10,11)12)6(15-7)14-4-1-2-4/h5-12H,1-4H2,(H2,29,31,33,35)(H2,30,32,34,36);3-4H,1-2H2,(H,13,14,15)
InChIKeyUBYOTBJBZSPUJK-UHFFFAOYSA-N
MW748.06 g/mol
LogP8.66
Rot. Bonds10

About 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905687) has the molecular formula C30H27ClF9N11 and a molecular weight of 748.06 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905687
Molecular FormulaC30H27ClF9N11
Molecular Weight748.06 g/mol
Exact Mass747.20
IUPAC Name2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Cl)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2)nc1NC1CC1
InChIInChI=1S/C22H20F6N8.C8H7ClF3N3/c23-21(24,25)15-9-29-19(35-17(15)31-11-1-2-11)33-13-5-7-14(8-6-13)34-20-30-10-16(22(26,27)28)18(36-20)32-12-3-4-12;9-7-13-3-5(8(10,11)12)6(15-7)14-4-1-2-4/h5-12H,1-4H2,(H2,29,31,33,35)(H2,30,32,34,36);3-4H,1-2H2,(H,13,14,15)
InChIKeyUBYOTBJBZSPUJK-UHFFFAOYSA-N
XLogP8.66
TPSA137.49 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500748.06
LogP ≤ 58.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-cyclopropyl-2-N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 156831501
N-[[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methyl]acetamide
CID 156831539
4-N-(3-aminocyclohexyl)-2-N-(3,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080503
2-[[2-(3,4-dichloroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 21080467
4-N-cyclopropyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141336716
[2-bromo-3-chloro-5-[[4-(cyclohexylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanol
CID 174226823
1-[3-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 67218138
2-N-[2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-N-cyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 156831516
5-[[4-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150367898
4-[[5-chloro-4-(cyclopropylamino)pyrimidin-2-yl]amino]benzaldehyde
CID 87670630
1-[(1S,8R)-4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-methoxyethanone
CID 24965667
4-N-cyclopropyl-2-N-(1-cyclopropylindazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905687) is 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(Cl)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)cc2)nc1NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is UBYOTBJBZSPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N8.C8H7ClF3N3/c23-21(24,25)15-9-29-19(35-17(15)31-11-1-2-11)33-13-5-7-14(8-6-13)34-20-30-10-16(22(26,27)28)18(36-20)32-12-3-4-12;9-7-13-3-5(8(10,11)12)6(15-7)14-4-1-2-4/h5-12H,1-4H2,(H2,29,31,33,35)(H2,30,32,34,36);3-4H,1-2H2,(H,13,14,15).
What are the key properties of 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 748.06 g/mol, XLogP of 8.66, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).