N-(3-methylbutyl)pyrimidin-2-amine

C9H15N3 — CID 23423532

IUPACN-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1ncccn1
InChIInChI=1S/C9H15N3/c1-8(2)4-7-12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)
InChIKeyIUOXGIFWBJTRBB-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.93
Rot. Bonds4

About N-(3-methylbutyl)pyrimidin-2-amine

N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 23423532) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)pyrimidin-2-amine
PubChem CID23423532
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-(3-methylbutyl)pyrimidin-2-amine
SMILESCC(C)CCNc1ncccn1
InChIInChI=1S/C9H15N3/c1-8(2)4-7-12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12)
InChIKeyIUOXGIFWBJTRBB-UHFFFAOYSA-N
XLogP1.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of N-(3-methylbutyl)pyrimidin-2-amine (CID 23423532) is N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methylbutyl)pyrimidin-2-amine is CC(C)CCNc1ncccn1.
What is the InChIKey of N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is IUOXGIFWBJTRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8(2)4-7-12-9-10-5-3-6-11-9/h3,5-6,8H,4,7H2,1-2H3,(H,10,11,12).
What are the key properties of N-(3-methylbutyl)pyrimidin-2-amine?
N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 23423532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).