2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

C17H23N3 — CID 63480343

IUPAC2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)c(C)c2)nc(C)c1C(C)C
InChIInChI=1S/C17H23N3/c1-10(2)15-13(5)19-16(20-17(15)18-6)14-8-7-11(3)12(4)9-14/h7-10H,1-6H3,(H,18,19,20)
InChIKeyJWVZDLRYRIHGDD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.23
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63480343) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID63480343
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)c(C)c2)nc(C)c1C(C)C
InChIInChI=1S/C17H23N3/c1-10(2)15-13(5)19-16(20-17(15)18-6)14-8-7-11(3)12(4)9-14/h7-10H,1-6H3,(H,18,19,20)
InChIKeyJWVZDLRYRIHGDD-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
CID 62913656
N,6-dimethyl-2-(3-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
CID 62915108
N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63485270
N,6-dimethyl-2-(5-methylfuran-2-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62914017
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
[2-(4-fluorophenyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62916072
2-(4-bromothiophen-2-yl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63481025
[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
CID 62915530
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
2-(4-bromo-3-methylphenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66481275
N-ethyl-6-methyl-5-propan-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 62913834

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (CID 63480343) is 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2ccc(C)c(C)c2)nc(C)c1C(C)C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is JWVZDLRYRIHGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-10(2)15-13(5)19-16(20-17(15)18-6)14-8-7-11(3)12(4)9-14/h7-10H,1-6H3,(H,18,19,20).
What are the key properties of 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63480343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).