4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine

C20H22N4 — CID 112859221

IUPAC4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCc2ccc(C)cc2)ncn1
InChIInChI=1S/C20H22N4/c1-3-24(18-7-5-4-6-8-18)20-13-19(22-15-23-20)21-14-17-11-9-16(2)10-12-17/h4-13,15H,3,14H2,1-2H3,(H,21,22,23)
InChIKeySNPBSCMNBHGDOB-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.56
Rot. Bonds6

About 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine

4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112859221) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112859221
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NCc2ccc(C)cc2)ncn1
InChIInChI=1S/C20H22N4/c1-3-24(18-7-5-4-6-8-18)20-13-19(22-15-23-20)21-14-17-11-9-16(2)10-12-17/h4-13,15H,3,14H2,1-2H3,(H,21,22,23)
InChIKeySNPBSCMNBHGDOB-UHFFFAOYSA-N
XLogP4.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109347313
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859705

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (CID 112859221) is 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NCc2ccc(C)cc2)ncn1.
What is the InChIKey of 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is SNPBSCMNBHGDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-24(18-7-5-4-6-8-18)20-13-19(22-15-23-20)21-14-17-11-9-16(2)10-12-17/h4-13,15H,3,14H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112859221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).