N-(oxolan-2-ylmethyl)pyrimidin-4-amine

C9H13N3O — CID 61253370

IUPACN-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESc1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C9H13N3O/c1-2-8(13-5-1)6-11-9-3-4-10-7-12-9/h3-4,7-8H,1-2,5-6H2,(H,10,11,12)
InChIKeyAGHFOYHSHXHPBD-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.07
Rot. Bonds3

About N-(oxolan-2-ylmethyl)pyrimidin-4-amine

N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 61253370) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID61253370
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESc1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C9H13N3O/c1-2-8(13-5-1)6-11-9-3-4-10-7-12-9/h3-4,7-8H,1-2,5-6H2,(H,10,11,12)
InChIKeyAGHFOYHSHXHPBD-UHFFFAOYSA-N
XLogP1.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 61253370) is N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)pyrimidin-4-amine is c1cc(NCC2CCCO2)ncn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is AGHFOYHSHXHPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-8(13-5-1)6-11-9-3-4-10-7-12-9/h3-4,7-8H,1-2,5-6H2,(H,10,11,12).
What are the key properties of N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 179.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 61253370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).