2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine

C11H19N3 — CID 63550016

IUPAC2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(C)cc(C)n1
InChIInChI=1S/C11H19N3/c1-5-10(12)9(4)11-13-7(2)6-8(3)14-11/h6,9-10H,5,12H2,1-4H3
InChIKeyCALIOTPURFRXQR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine

2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine (PubChem CID 63550016) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
PubChem CID63550016
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine
SMILESCCC(N)C(C)c1nc(C)cc(C)n1
InChIInChI=1S/C11H19N3/c1-5-10(12)9(4)11-13-7(2)6-8(3)14-11/h6,9-10H,5,12H2,1-4H3
InChIKeyCALIOTPURFRXQR-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 107504642
3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pentan-2-amine
CID 63200525
2-(1-chloroethyl)-4,6-dimethylpyrimidine
CID 80655731
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239
(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
2-butan-2-yl-4-chloro-6-methylpyrimidine
CID 62313063
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63319216
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)butane-1,2-diamine
CID 63732652
(2R)-1-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 96570656
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine (CID 63550016) is 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine is CCC(N)C(C)c1nc(C)cc(C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
The InChIKey is CALIOTPURFRXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-10(12)9(4)11-13-7(2)6-8(3)14-11/h6,9-10H,5,12H2,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine?
2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)pentan-3-amine is sourced from PubChem (CID 63550016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).