N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine

C21H23N3 — CID 11209329

IUPACN-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(-c2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)c1
InChIInChI=1S/C21H23N3/c1-15-6-5-7-16(12-15)19-13-20(23-14-22-19)24-18-10-8-17(9-11-18)21(2,3)4/h5-14H,1-4H3,(H,22,23,24)
InChIKeyMENJLYYPBUBFOC-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.49
Rot. Bonds3

About N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine

N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 11209329) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
PubChem CID11209329
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(-c2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)c1
InChIInChI=1S/C21H23N3/c1-15-6-5-7-16(12-15)19-13-20(23-14-22-19)24-18-10-8-17(9-11-18)21(2,3)4/h5-14H,1-4H3,(H,22,23,24)
InChIKeyMENJLYYPBUBFOC-UHFFFAOYSA-N
XLogP5.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
3-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]benzamide
CID 59982989
6-(3-methylphenyl)-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 151158667
N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327267
N-(3,4-dimethylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327073
6-[3-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 58119058
N-(3-chloro-4-methylphenyl)-3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327066
4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46327284
6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
6-[2-(4-methylanilino)phenyl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 11350663
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
N-(4-bromophenyl)-6-phenylpyrimidin-4-amine
CID 16876814

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine (CID 11209329) is N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine is Cc1cccc(-c2cc(Nc3ccc(C(C)(C)C)cc3)ncn2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is MENJLYYPBUBFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-6-5-7-16(12-15)19-13-20(23-14-22-19)24-18-10-8-17(9-11-18)21(2,3)4/h5-14H,1-4H3,(H,22,23,24).
What are the key properties of N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine?
N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 11209329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).