4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C20H26FN5O — CID 11710471

IUPAC4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCCC1
InChIInChI=1S/C20H26FN5O/c21-18-14-22-20(25-19(18)23-15-4-2-1-3-5-15)24-16-6-8-17(9-7-16)26-10-12-27-13-11-26/h6-9,14-15H,1-5,10-13H2,(H2,22,23,24,25)
InChIKeyATBGUGYOKGTYEY-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.94
Rot. Bonds5

About 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 11710471) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID11710471
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCCC1
InChIInChI=1S/C20H26FN5O/c21-18-14-22-20(25-19(18)23-15-4-2-1-3-5-15)24-16-6-8-17(9-7-16)26-10-12-27-13-11-26/h6-9,14-15H,1-5,10-13H2,(H2,22,23,24,25)
InChIKeyATBGUGYOKGTYEY-UHFFFAOYSA-N
XLogP3.94
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4,5-triamine
CID 58786809
4-N-cyclobutyl-2-N-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 70657969
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropteridine-2,4-diamine
CID 143049590
4-N-cyclopentyl-2-N-(4-morpholin-4-ylphenyl)-5-(thiophen-2-ylmethylideneamino)pyrimidine-2,4-diamine
CID 164619227
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739
N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide
CID 11660432
9-cyclopentyl-8-N-(2-fluorophenyl)-2-N-(4-morpholin-4-ylphenyl)-7,8-dihydropurine-2,8-diamine
CID 143262426
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
CID 70647980
3-[3-[[5-fluoro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 71014776
1-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]-3-cyclohexylurea
CID 59363109

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 11710471) is 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ATBGUGYOKGTYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-18-14-22-20(25-19(18)23-15-4-2-1-3-5-15)24-16-6-8-17(9-7-16)26-10-12-27-13-11-26/h6-9,14-15H,1-5,10-13H2,(H2,22,23,24,25).
What are the key properties of 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 371.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-fluoro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11710471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).