2-methyl-1-pyrimidin-5-ylbutan-1-amine

C9H15N3 — CID 63719075

IUPAC2-methyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCC(C)C(N)c1cncnc1
InChIInChI=1S/C9H15N3/c1-3-7(2)9(10)8-4-11-6-12-5-8/h4-7,9H,3,10H2,1-2H3
InChIKeyHZHKOMJSBRNPJB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds3

About 2-methyl-1-pyrimidin-5-ylbutan-1-amine

2-methyl-1-pyrimidin-5-ylbutan-1-amine (PubChem CID 63719075) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-1-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-1-pyrimidin-5-ylbutan-1-amine
PubChem CID63719075
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-methyl-1-pyrimidin-5-ylbutan-1-amine
SMILESCCC(C)C(N)c1cncnc1
InChIInChI=1S/C9H15N3/c1-3-7(2)9(10)8-4-11-6-12-5-8/h4-7,9H,3,10H2,1-2H3
InChIKeyHZHKOMJSBRNPJB-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
3-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 115827442
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
(1S)-1-pyrimidin-5-ylpropan-1-ol
CID 15812275
(1R)-2-methyl-1-(4-methylsulfanylphenyl)butan-1-amine;hydrochloride
CID 171212740
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 102993814
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
CID 166692011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of 2-methyl-1-pyrimidin-5-ylbutan-1-amine (CID 63719075) is 2-methyl-1-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-1-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for 2-methyl-1-pyrimidin-5-ylbutan-1-amine is CCC(C)C(N)c1cncnc1.
What is the InChIKey of 2-methyl-1-pyrimidin-5-ylbutan-1-amine?
The InChIKey is HZHKOMJSBRNPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-7(2)9(10)8-4-11-6-12-5-8/h4-7,9H,3,10H2,1-2H3.
What are the key properties of 2-methyl-1-pyrimidin-5-ylbutan-1-amine?
2-methyl-1-pyrimidin-5-ylbutan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 63719075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).