4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine

C21H24N4 — CID 112881613

IUPAC4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-15-10-8-9-13-17(15)22-18-14-19(25-21(2,3)4)24-20(23-18)16-11-6-5-7-12-16/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyAKUPCWGKLMVRBF-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.41
Rot. Bonds4

About 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112881613) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112881613
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCc1ccccc1Nc1cc(NC(C)(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C21H24N4/c1-15-10-8-9-13-17(15)22-18-14-19(25-21(2,3)4)24-20(23-18)16-11-6-5-7-12-16/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyAKUPCWGKLMVRBF-UHFFFAOYSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methylphenyl)-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879241
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
4-N-tert-butyl-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879638
4-[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881087
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682
4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881490
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
4-N-(4-chloro-2-methylphenyl)-6-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4,6-diamine
CID 112880896
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112881613) is 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine is Cc1ccccc1Nc1cc(NC(C)(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is AKUPCWGKLMVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-10-8-9-13-17(15)22-18-14-19(25-21(2,3)4)24-20(23-18)16-11-6-5-7-12-16/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).