2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine

C21H24N4O — CID 112937733

IUPAC2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)21-23-18(16-11-7-6-8-12-16)15-20(24-21)22-17-13-9-10-14-19(17)26-3/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyPMSQITUHCWWILC-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.74
Rot. Bonds7

About 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine

2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937733) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112937733
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2ccccc2OC)cc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)21-23-18(16-11-7-6-8-12-16)15-20(24-21)22-17-13-9-10-14-19(17)26-3/h6-15H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyPMSQITUHCWWILC-UHFFFAOYSA-N
XLogP4.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-diethyl-4-N-[(2-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112937035
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
2-N,2-N-diethyl-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 62192827
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
2-N,2-N,4-N-triethyl-6-phenylpyrimidine-2,4-diamine
CID 63485028
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3966942
2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112919058
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112937733) is 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1nc(Nc2ccccc2OC)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is PMSQITUHCWWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(5-2)21-23-18(16-11-7-6-8-12-16)15-20(24-21)22-17-13-9-10-14-19(17)26-3/h6-15H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).