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

C9H15N3 — CID 63198080

IUPAC3-(6-methylpyrimidin-4-yl)butan-2-amine
SMILESCc1cc(C(C)C(C)N)ncn1
InChIInChI=1S/C9H15N3/c1-6-4-9(12-5-11-6)7(2)8(3)10/h4-5,7-8H,10H2,1-3H3
InChIKeyBQWOCSZXJJNFEI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds2

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

3-(6-methylpyrimidin-4-yl)butan-2-amine (PubChem CID 63198080) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(6-methylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name3-(6-methylpyrimidin-4-yl)butan-2-amine
PubChem CID63198080
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(6-methylpyrimidin-4-yl)butan-2-amine
SMILESCc1cc(C(C)C(C)N)ncn1
InChIInChI=1S/C9H15N3/c1-6-4-9(12-5-11-6)7(2)8(3)10/h4-5,7-8H,10H2,1-3H3
InChIKeyBQWOCSZXJJNFEI-UHFFFAOYSA-N
XLogP1.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromobutan-2-yl)-6-methylpyrimidine
CID 63203647
N-methyl-3-(6-methylpyrimidin-4-yl)butan-2-amine
CID 63199988
2-(6-methylpyrimidin-4-yl)propanoic acid
CID 82597052
CID 175435599
CID 175435599
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
4-(2-chloropropyl)-6-methylpyrimidine
CID 63205078
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
CID 130645436
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
N-ethyl-1-(6-methylpyrimidin-4-yl)propan-2-amine
CID 63200457
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 65037496

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of 3-(6-methylpyrimidin-4-yl)butan-2-amine (CID 63198080) is 3-(6-methylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 3-(6-methylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 3-(6-methylpyrimidin-4-yl)butan-2-amine is Cc1cc(C(C)C(C)N)ncn1.
What is the InChIKey of 3-(6-methylpyrimidin-4-yl)butan-2-amine?
The InChIKey is BQWOCSZXJJNFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-4-9(12-5-11-6)7(2)8(3)10/h4-5,7-8H,10H2,1-3H3.
What are the key properties of 3-(6-methylpyrimidin-4-yl)butan-2-amine?
3-(6-methylpyrimidin-4-yl)butan-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 63198080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).