4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine

C20H22N4 — CID 112877026

IUPAC4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(Nc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C20H22N4/c1-4-24(18-11-6-5-7-12-18)20-14-19(21-16(3)22-20)23-17-10-8-9-15(2)13-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyDRFZARLKYSCYMR-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.00
Rot. Bonds5

About 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine

4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112877026) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112877026
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(Nc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C20H22N4/c1-4-24(18-11-6-5-7-12-18)20-14-19(21-16(3)22-20)23-17-10-8-9-15(2)13-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyDRFZARLKYSCYMR-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

2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112870268
4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872102
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873361
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
4-N-ethyl-6-N-(3-methoxypropyl)-2-methyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112869812
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
3-[[6-[benzyl(ethyl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193394
6-N-(3-fluorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876693
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine (CID 112877026) is 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(Nc2cccc(C)c2)nc(C)n1.
What is the InChIKey of 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is DRFZARLKYSCYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-4-24(18-11-6-5-7-12-18)20-14-19(21-16(3)22-20)23-17-10-8-9-15(2)13-17/h5-14H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine?
4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-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 4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).