2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine

C20H22N4 — CID 112927331

IUPAC2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H22N4/c1-4-24(18-8-6-5-7-9-18)20-21-16(3)14-19(23-20)22-17-12-10-15(2)11-13-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyXLRDNKPWRLYMES-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.00
Rot. Bonds5

About 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112927331) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112927331
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C20H22N4/c1-4-24(18-8-6-5-7-9-18)20-21-16(3)14-19(23-20)22-17-12-10-15(2)11-13-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyXLRDNKPWRLYMES-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928857
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 21276065
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112932348
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112922741
4-N-(3,4-dichlorophenyl)-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112927646
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 112927331) is 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1nc(C)cc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is XLRDNKPWRLYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-4-24(18-8-6-5-7-9-18)20-21-16(3)14-19(23-20)22-17-12-10-15(2)11-13-17/h5-14H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112927331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).