[2-(3-methylbutyl)pyrimidin-5-yl]methanamine

C10H17N3 — CID 62757488

IUPAC[2-(3-methylbutyl)pyrimidin-5-yl]methanamine
SMILESCC(C)CCc1ncc(CN)cn1
InChIInChI=1S/C10H17N3/c1-8(2)3-4-10-12-6-9(5-11)7-13-10/h6-8H,3-5,11H2,1-2H3
InChIKeyXGVCPCBFRQYNKM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.52
Rot. Bonds4

About [2-(3-methylbutyl)pyrimidin-5-yl]methanamine

[2-(3-methylbutyl)pyrimidin-5-yl]methanamine (PubChem CID 62757488) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is [2-(3-methylbutyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutyl)pyrimidin-5-yl]methanamine
PubChem CID62757488
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name[2-(3-methylbutyl)pyrimidin-5-yl]methanamine
SMILESCC(C)CCc1ncc(CN)cn1
InChIInChI=1S/C10H17N3/c1-8(2)3-4-10-12-6-9(5-11)7-13-10/h6-8H,3-5,11H2,1-2H3
InChIKeyXGVCPCBFRQYNKM-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-methylbutyl)pyrimidin-5-yl]methanamine (CID 62757488) is [2-(3-methylbutyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylbutyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-methylbutyl)pyrimidin-5-yl]methanamine is CC(C)CCc1ncc(CN)cn1.
What is the InChIKey of [2-(3-methylbutyl)pyrimidin-5-yl]methanamine?
The InChIKey is XGVCPCBFRQYNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)3-4-10-12-6-9(5-11)7-13-10/h6-8H,3-5,11H2,1-2H3.
What are the key properties of [2-(3-methylbutyl)pyrimidin-5-yl]methanamine?
[2-(3-methylbutyl)pyrimidin-5-yl]methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 62757488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).