N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine

C11H19N3 — CID 63205925

IUPACN,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine
SMILESCNC(Cc1ncc(C)cn1)C(C)C
InChIInChI=1S/C11H19N3/c1-8(2)10(12-4)5-11-13-6-9(3)7-14-11/h6-8,10,12H,5H2,1-4H3
InChIKeyBZEMWRATDSDGMJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.57
Rot. Bonds4

About N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine

N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine (PubChem CID 63205925) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine
PubChem CID63205925
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine
SMILESCNC(Cc1ncc(C)cn1)C(C)C
InChIInChI=1S/C11H19N3/c1-8(2)10(12-4)5-11-13-6-9(3)7-14-11/h6-8,10,12H,5H2,1-4H3
InChIKeyBZEMWRATDSDGMJ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine?
The IUPAC name of N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine (CID 63205925) is N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine is CNC(Cc1ncc(C)cn1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine?
The InChIKey is BZEMWRATDSDGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(2)10(12-4)5-11-13-6-9(3)7-14-11/h6-8,10,12H,5H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine?
N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(5-methylpyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 63205925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).