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

C20H27N5O — CID 112885027

IUPAC2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESc1ccc(N2CCOCC2)c(Nc2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C20H27N5O/c1-2-6-16(7-3-1)22-20-21-11-10-19(24-20)23-17-8-4-5-9-18(17)25-12-14-26-15-13-25/h4-5,8-11,16H,1-3,6-7,12-15H2,(H2,21,22,23,24)
InChIKeyLFYJQRSWSOUIFZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.80
Rot. Bonds5

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

2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112885027) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112885027
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESc1ccc(N2CCOCC2)c(Nc2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C20H27N5O/c1-2-6-16(7-3-1)22-20-21-11-10-19(24-20)23-17-8-4-5-9-18(17)25-12-14-26-15-13-25/h4-5,8-11,16H,1-3,6-7,12-15H2,(H2,21,22,23,24)
InChIKeyLFYJQRSWSOUIFZ-UHFFFAOYSA-N
XLogP3.80
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-[[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194788
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112901131
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109250604

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 112885027) is 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is c1ccc(N2CCOCC2)c(Nc2ccnc(NC3CCCCC3)n2)c1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is LFYJQRSWSOUIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-6-16(7-3-1)22-20-21-11-10-19(24-20)23-17-8-4-5-9-18(17)25-12-14-26-15-13-25/h4-5,8-11,16H,1-3,6-7,12-15H2,(H2,21,22,23,24).
What are the key properties of 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 353.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112885027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).