N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine

C21H23N3 — CID 9151407

IUPACN-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H23N3/c1-15-22-19(16-8-6-5-7-9-16)14-20(23-15)24-18-12-10-17(11-13-18)21(2,3)4/h5-14H,1-4H3,(H,22,23,24)
InChIKeyVPNGJSGVYCLYOY-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.49
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine

N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine (PubChem CID 9151407) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
PubChem CID9151407
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H23N3/c1-15-22-19(16-8-6-5-7-9-16)14-20(23-15)24-18-12-10-17(11-13-18)21(2,3)4/h5-14H,1-4H3,(H,22,23,24)
InChIKeyVPNGJSGVYCLYOY-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

4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 108775245
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-6-phenylpyrimidin-4-amine
CID 108773218
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
3-N-(3-chloroquinoxalin-2-yl)-1-N-(2-methyl-6-phenylpyrimidin-4-yl)benzene-1,3-diamine
CID 108775255
N-(4-methoxyphenyl)-2-methyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3954774
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine (CID 9151407) is N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine is Cc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is VPNGJSGVYCLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-15-22-19(16-8-6-5-7-9-16)14-20(23-15)24-18-12-10-17(11-13-18)21(2,3)4/h5-14H,1-4H3,(H,22,23,24).
What are the key properties of N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine?
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-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)-2-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 9151407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).