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

C18H25N3 — CID 63485987

IUPAC2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H25N3/c1-6-11-19-16-12-13(2)20-17(21-16)14-7-9-15(10-8-14)18(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,20,21)
InChIKeyRUYJUDBCKRXMJI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.57
Rot. Bonds4

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

2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 63485987) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID63485987
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H25N3/c1-6-11-19-16-12-13(2)20-17(21-16)14-7-9-15(10-8-14)18(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,20,21)
InChIKeyRUYJUDBCKRXMJI-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807
2-chloro-4-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 135978603
2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 81442424
6-methyl-N-propyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190181
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
2-methoxy-5-[4-methyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62203451
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
2-(6-methoxypyridazin-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103374966
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 63485987) is 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is RUYJUDBCKRXMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-6-11-19-16-12-13(2)20-17(21-16)14-7-9-15(10-8-14)18(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,19,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63485987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).