N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine

C10H17N3 — CID 63199988

IUPACN-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine
SMILESCNC(C)C(C)c1cc(C)ncn1
InChIInChI=1S/C10H17N3/c1-7-5-10(13-6-12-7)8(2)9(3)11-4/h5-6,8-9,11H,1-4H3
InChIKeyNSMBDGUMKASNOU-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine

N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine (PubChem CID 63199988) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine
PubChem CID63199988
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine
SMILESCNC(C)C(C)c1cc(C)ncn1
InChIInChI=1S/C10H17N3/c1-7-5-10(13-6-12-7)8(2)9(3)11-4/h5-6,8-9,11H,1-4H3
InChIKeyNSMBDGUMKASNOU-UHFFFAOYSA-N
XLogP1.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine (CID 63199988) is N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine is CNC(C)C(C)c1cc(C)ncn1.
What is the InChIKey of N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine?
The InChIKey is NSMBDGUMKASNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-5-10(13-6-12-7)8(2)9(3)11-4/h5-6,8-9,11H,1-4H3.
What are the key properties of N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine?
N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 63199988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).