N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine

C10H19N3 — CID 70354420

IUPACN-(2H-pyrimidin-1-ylmethyl)pentan-1-amine
SMILESCCCCCNCN1C=CC=NC1
InChIInChI=1S/C10H19N3/c1-2-3-4-6-11-9-13-8-5-7-12-10-13/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyGUQGJNFWPZJESJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds6

About N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine

N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine (PubChem CID 70354420) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2H-pyrimidin-1-ylmethyl)pentan-1-amine
PubChem CID70354420
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(2H-pyrimidin-1-ylmethyl)pentan-1-amine
SMILESCCCCCNCN1C=CC=NC1
InChIInChI=1S/C10H19N3/c1-2-3-4-6-11-9-13-8-5-7-12-10-13/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyGUQGJNFWPZJESJ-UHFFFAOYSA-N
XLogP1.58
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine?
The IUPAC name of N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine (CID 70354420) is N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine is CCCCCNCN1C=CC=NC1.
What is the InChIKey of N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine?
The InChIKey is GUQGJNFWPZJESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-3-4-6-11-9-13-8-5-7-12-10-13/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine?
N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-pyrimidin-1-ylmethyl)pentan-1-amine is sourced from PubChem (CID 70354420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).