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

C20H22N4 — CID 112902119

IUPAC4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-4-16-10-8-9-15(2)19(16)22-18-13-14-21-20(23-18)24(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyITTOACNGYJMESE-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.86
Rot. Bonds5

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

4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902119) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112902119
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1ccnc(N(C)c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-4-16-10-8-9-15(2)19(16)22-18-13-14-21-20(23-18)24(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,21,22,23)
InChIKeyITTOACNGYJMESE-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
CID 112901638
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770
2-N-methyl-4-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112902142
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethyl-6-methylphenyl)pyrimidine-2,4-diamine
CID 112903040
2-N-(2-ethyl-6-methylphenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903070
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112902119) is 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1ccnc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is ITTOACNGYJMESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-4-16-10-8-9-15(2)19(16)22-18-13-14-21-20(23-18)24(3)17-11-6-5-7-12-17/h5-14H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).