4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine

C19H26N4 — CID 46228436

IUPAC4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-14-13-18(22-17-11-7-4-8-12-17)23-19(20-14)21-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,13,15,17H,4,7-8,11-12H2,1-2H3,(H2,20,21,22,23)/t15-/m1/s1
InChIKeyXOVKFJLQIHTQCJ-OAHLLOKOSA-N
MW310.44 g/mol
LogP4.70
Rot. Bonds5

About 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine

4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine (PubChem CID 46228436) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
PubChem CID46228436
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCCC2)nc(N[C@H](C)c2ccccc2)n1
InChIInChI=1S/C19H26N4/c1-14-13-18(22-17-11-7-4-8-12-17)23-19(20-14)21-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,13,15,17H,4,7-8,11-12H2,1-2H3,(H2,20,21,22,23)/t15-/m1/s1
InChIKeyXOVKFJLQIHTQCJ-OAHLLOKOSA-N
XLogP4.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine (CID 46228436) is 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine is Cc1cc(NC2CCCCC2)nc(N[C@H](C)c2ccccc2)n1.
What is the InChIKey of 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine?
The InChIKey is XOVKFJLQIHTQCJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-13-18(22-17-11-7-4-8-12-17)23-19(20-14)21-15(2)16-9-5-3-6-10-16/h3,5-6,9-10,13,15,17H,4,7-8,11-12H2,1-2H3,(H2,20,21,22,23)/t15-/m1/s1.
What are the key properties of 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine?
4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine has a molecular weight of 310.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-methyl-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 46228436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).