2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine

C11H19N3 — CID 64570932

IUPAC2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCc1ncccn1
InChIInChI=1S/C11H19N3/c1-9(2)10(3)7-12-8-11-13-5-4-6-14-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyWUIJNJPZCVJBFX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.86
Rot. Bonds5

About 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine

2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine (PubChem CID 64570932) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
PubChem CID64570932
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCc1ncccn1
InChIInChI=1S/C11H19N3/c1-9(2)10(3)7-12-8-11-13-5-4-6-14-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyWUIJNJPZCVJBFX-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylbutylamino)methyl]pyridin-3-amine
CID 104740128
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
4-methyl-N-(pyrimidin-2-ylmethyl)pentan-1-amine
CID 62699736
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
1-bromo-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 107859566
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
2-[(2,3-dimethylbutylamino)methyl]aniline
CID 64596728
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
5-methyl-N-(pyrimidin-2-ylmethyl)hexan-2-amine
CID 63927515
1-N-(2-methoxyethyl)-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553103
N-propyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 114553106

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine (CID 64570932) is 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine is CC(C)C(C)CNCc1ncccn1.
What is the InChIKey of 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine?
The InChIKey is WUIJNJPZCVJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)10(3)7-12-8-11-13-5-4-6-14-11/h4-6,9-10,12H,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine?
2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(pyrimidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 64570932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).