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

C20H22N4 — CID 112926991

IUPAC4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-4-24(18-12-8-9-15(2)13-18)19-14-16(3)21-20(23-19)22-17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyKAHANERMIWUFAG-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.00
Rot. Bonds5

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

4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112926991) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112926991
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1cc(C)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-4-24(18-12-8-9-15(2)13-18)19-14-16(3)21-20(23-19)22-17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyKAHANERMIWUFAG-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

ethyl 4-[[4-(N-ethyl-3-methylanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112932104
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962353
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
5-N-ethyl-3-N-(4-methoxyphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967453
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112928811
4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112877026
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
N-ethyl-6-methyl-N-(3-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922293
methyl 4-[[5-(N-ethyl-3-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112968768
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112921905

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 112926991) is 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1cc(C)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is KAHANERMIWUFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-4-24(18-12-8-9-15(2)13-18)19-14-16(3)21-20(23-19)22-17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-4-N-(3-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 4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).