4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine

C20H28N4 — CID 46225997

IUPAC4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C2CCCCC2)nc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H28N4/c1-15-14-19(24(3)18-12-8-5-9-13-18)23-20(21-15)22-16(2)17-10-6-4-7-11-17/h4,6-7,10-11,14,16,18H,5,8-9,12-13H2,1-3H3,(H,21,22,23)/t16-/m0/s1
InChIKeyNJPAOGSCTHTGRH-INIZCTEOSA-N
MW324.47 g/mol
LogP4.73
Rot. Bonds5

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

4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine (PubChem CID 46225997) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
PubChem CID46225997
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
SMILESCc1cc(N(C)C2CCCCC2)nc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H28N4/c1-15-14-19(24(3)18-12-8-5-9-13-18)23-20(21-15)22-16(2)17-10-6-4-7-11-17/h4,6-7,10-11,14,16,18H,5,8-9,12-13H2,1-3H3,(H,21,22,23)/t16-/m0/s1
InChIKeyNJPAOGSCTHTGRH-INIZCTEOSA-N
XLogP4.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine (CID 46225997) is 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine is Cc1cc(N(C)C2CCCCC2)nc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
The InChIKey is NJPAOGSCTHTGRH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4/c1-15-14-19(24(3)18-12-8-5-9-13-18)23-20(21-15)22-16(2)17-10-6-4-7-11-17/h4,6-7,10-11,14,16,18H,5,8-9,12-13H2,1-3H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-4-N,6-dimethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 46225997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).