3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine

C17H23N3 — CID 116893087

IUPAC3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1cc(-c2ccccc2C)nc(C(C)(C)CCN)n1
InChIInChI=1S/C17H23N3/c1-12-7-5-6-8-14(12)15-11-13(2)19-16(20-15)17(3,4)9-10-18/h5-8,11H,9-10,18H2,1-4H3
InChIKeyBIZGSRTZBNZTJG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.39
Rot. Bonds4

About 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine

3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine (PubChem CID 116893087) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
PubChem CID116893087
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
SMILESCc1cc(-c2ccccc2C)nc(C(C)(C)CCN)n1
InChIInChI=1S/C17H23N3/c1-12-7-5-6-8-14(12)15-11-13(2)19-16(20-15)17(3,4)9-10-18/h5-8,11H,9-10,18H2,1-4H3
InChIKeyBIZGSRTZBNZTJG-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898387
3-methyl-3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116893092
3-(4-tert-butyl-6-methylpyrimidin-2-yl)-3-methylbutan-1-amine
CID 116893078
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
2-(2-ethyl-6-methylpyrimidin-4-yl)aniline
CID 105466937
tert-butyl N-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 167014065
[6-(2-methylphenyl)-2-pyridinyl]methanamine
CID 82505844
N-ethyl-6-(2-methylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716549
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 91926616
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine (CID 116893087) is 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine is Cc1cc(-c2ccccc2C)nc(C(C)(C)CCN)n1.
What is the InChIKey of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
The InChIKey is BIZGSRTZBNZTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-7-5-6-8-14(12)15-11-13(2)19-16(20-15)17(3,4)9-10-18/h5-8,11H,9-10,18H2,1-4H3.
What are the key properties of 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine?
3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-methyl-6-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine is sourced from PubChem (CID 116893087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).