6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine

C18H25N3 — CID 80977843

IUPAC6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H25N3/c1-6-7-15-20-16(12(2)17(19)21-15)13-8-10-14(11-9-13)18(3,4)5/h8-11H,6-7H2,1-5H3,(H2,19,20,21)
InChIKeyDLRUYEGUUKUWIA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.28
Rot. Bonds3

About 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine

6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80977843) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80977843
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H25N3/c1-6-7-15-20-16(12(2)17(19)21-15)13-8-10-14(11-9-13)18(3,4)5/h8-11H,6-7H2,1-5H3,(H2,19,20,21)
InChIKeyDLRUYEGUUKUWIA-UHFFFAOYSA-N
XLogP4.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80975052
5-methyl-6-phenyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 104846675
5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341932
5-methyl-2-propyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80978112
2-ethyl-5-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 80975340
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80975228
6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 114523269
6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106943797
5-methyl-2-propyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 80977225
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80976055
6-(2-ethyl-1,2,4-triazol-3-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 112744142

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80977843) is 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is DLRUYEGUUKUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-7-15-20-16(12(2)17(19)21-15)13-8-10-14(11-9-13)18(3,4)5/h8-11H,6-7H2,1-5H3,(H2,19,20,21).
What are the key properties of 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80977843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).