N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine

C11H19N3 — CID 130198316

IUPACN-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nc(C)cc(C)n1
InChIInChI=1S/C11H19N3/c1-5-8(2)12-7-11-13-9(3)6-10(4)14-11/h6,8,12H,5,7H2,1-4H3
InChIKeyKIKZVBJMGUYYJK-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds4

About N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine

N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine (PubChem CID 130198316) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
PubChem CID130198316
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nc(C)cc(C)n1
InChIInChI=1S/C11H19N3/c1-5-8(2)12-7-11-13-9(3)6-10(4)14-11/h6,8,12H,5,7H2,1-4H3
InChIKeyKIKZVBJMGUYYJK-UHFFFAOYSA-N
XLogP1.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine (CID 130198316) is N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine is CCC(C)NCc1nc(C)cc(C)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine?
The InChIKey is KIKZVBJMGUYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-8(2)12-7-11-13-9(3)6-10(4)14-11/h6,8,12H,5,7H2,1-4H3.
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine?
N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 130198316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).