5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C23H27N3O — CID 142476699

IUPAC5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCCCCc1c(-c2ccccc2)nc(N)nc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H27N3O/c1-4-5-11-20-21(17-9-7-6-8-10-17)25-23(24)26-22(20)18-12-14-19(15-13-18)27-16(2)3/h6-10,12-16H,4-5,11H2,1-3H3,(H2,24,25,26)
InChIKeyWAILBYKKOTYPTJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.52
Rot. Bonds7

About 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 142476699) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID142476699
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCCCCc1c(-c2ccccc2)nc(N)nc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C23H27N3O/c1-4-5-11-20-21(17-9-7-6-8-10-17)25-23(24)26-22(20)18-12-14-19(15-13-18)27-16(2)3/h6-10,12-16H,4-5,11H2,1-3H3,(H2,24,25,26)
InChIKeyWAILBYKKOTYPTJ-UHFFFAOYSA-N
XLogP5.52
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butyl-4-(2,3-difluoro-4-phenylmethoxyphenyl)-6-phenylpyrimidin-2-amine
CID 142476696
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734
2-methyl-4-(4-propan-2-yloxyphenyl)imidazole-1,5-diamine
CID 62483192
2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
CID 55047871
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
5-ethyl-4-methoxy-6-phenylpyrimidin-2-amine
CID 12597618
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
6-(4-butyl-2-phenylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 175118510
5-butyl-4-(furan-3-yl)-6-pyridin-4-ylpyrimidin-2-amine
CID 139449812

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 142476699) is 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is CCCCc1c(-c2ccccc2)nc(N)nc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is WAILBYKKOTYPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-5-11-20-21(17-9-7-6-8-10-17)25-23(24)26-22(20)18-12-14-19(15-13-18)27-16(2)3/h6-10,12-16H,4-5,11H2,1-3H3,(H2,24,25,26).
What are the key properties of 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 361.49 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-phenyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 142476699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).