2-(cyclobutylmethyl)pyrimidin-5-amine

C9H13N3 — CID 126979831

IUPAC2-(cyclobutylmethyl)pyrimidin-5-amine
SMILESNc1cnc(CC2CCC2)nc1
InChIInChI=1S/C9H13N3/c10-8-5-11-9(12-6-8)4-7-2-1-3-7/h5-7H,1-4,10H2
InChIKeyDUCUUQNFHHFLCL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.40
Rot. Bonds2

About 2-(cyclobutylmethyl)pyrimidin-5-amine

2-(cyclobutylmethyl)pyrimidin-5-amine (PubChem CID 126979831) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)pyrimidin-5-amine
PubChem CID126979831
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-(cyclobutylmethyl)pyrimidin-5-amine
SMILESNc1cnc(CC2CCC2)nc1
InChIInChI=1S/C9H13N3/c10-8-5-11-9(12-6-8)4-7-2-1-3-7/h5-7H,1-4,10H2
InChIKeyDUCUUQNFHHFLCL-UHFFFAOYSA-N
XLogP1.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)pyrimidin-5-amine?
The IUPAC name of 2-(cyclobutylmethyl)pyrimidin-5-amine (CID 126979831) is 2-(cyclobutylmethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(cyclobutylmethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(cyclobutylmethyl)pyrimidin-5-amine is Nc1cnc(CC2CCC2)nc1.
What is the InChIKey of 2-(cyclobutylmethyl)pyrimidin-5-amine?
The InChIKey is DUCUUQNFHHFLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-8-5-11-9(12-6-8)4-7-2-1-3-7/h5-7H,1-4,10H2.
What are the key properties of 2-(cyclobutylmethyl)pyrimidin-5-amine?
2-(cyclobutylmethyl)pyrimidin-5-amine has a molecular weight of 163.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)pyrimidin-5-amine is sourced from PubChem (CID 126979831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).