1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine

C12H21N3 — CID 62745394

IUPAC1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(C)CCc1nccc(CC(C)N)n1
InChIInChI=1S/C12H21N3/c1-9(2)4-5-12-14-7-6-11(15-12)8-10(3)13/h6-7,9-10H,4-5,8,13H2,1-3H3
InChIKeyBBIKCWXIFKQIIX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine

1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 62745394) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
PubChem CID62745394
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(C)CCc1nccc(CC(C)N)n1
InChIInChI=1S/C12H21N3/c1-9(2)4-5-12-14-7-6-11(15-12)8-10(3)13/h6-7,9-10H,4-5,8,13H2,1-3H3
InChIKeyBBIKCWXIFKQIIX-UHFFFAOYSA-N
XLogP1.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine (CID 62745394) is 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine is CC(C)CCc1nccc(CC(C)N)n1.
What is the InChIKey of 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is BBIKCWXIFKQIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)4-5-12-14-7-6-11(15-12)8-10(3)13/h6-7,9-10H,4-5,8,13H2,1-3H3.
What are the key properties of 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylbutyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 62745394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).