2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C18H14F3N7 — CID 44562903

IUPAC2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1
InChIInChI=1S/C18H14F3N7/c19-18(20,21)14-10-24-17(26-12-4-5-15-11(7-12)8-25-28-15)27-16(14)23-9-13-3-1-2-6-22-13/h1-8,10H,9H2,(H,25,28)(H2,23,24,26,27)
InChIKeyOPWPQZXQSROBLU-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.12
Rot. Bonds5

About 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 44562903) has the molecular formula C18H14F3N7 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID44562903
Molecular FormulaC18H14F3N7
Molecular Weight385.35 g/mol
Exact Mass385.13
IUPAC Name2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1
InChIInChI=1S/C18H14F3N7/c19-18(20,21)14-10-24-17(26-12-4-5-15-11(7-12)8-25-28-15)27-16(14)23-9-13-3-1-2-6-22-13/h1-8,10H,9H2,(H,25,28)(H2,23,24,26,27)
InChIKeyOPWPQZXQSROBLU-UHFFFAOYSA-N
XLogP4.12
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216807
5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 10409271
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893269
N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine
CID 23536548
5-bromo-2-N-(1H-indazol-5-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;5-bromo-2-N-(1H-indol-4-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;2-N-(1H-indol-5-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 173204712
5-chloro-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 166380400
5-[[4-[[2-(methylamino)-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 159617040
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 68702577
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
2-(1-benzofuran-5-ylamino)-4-[[2-[methyl(sulfino)amino]-3-pyridinyl]methylamino]-5-(trifluoromethyl)pyrimidine
CID 143813281
methyl 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-bromobenzoate
CID 155463519
2-methyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 70795723

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 44562903) is 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1.
What is the InChIKey of 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is OPWPQZXQSROBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7/c19-18(20,21)14-10-24-17(26-12-4-5-15-11(7-12)8-25-28-15)27-16(14)23-9-13-3-1-2-6-22-13/h1-8,10H,9H2,(H,25,28)(H2,23,24,26,27).
What are the key properties of 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 385.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44562903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).