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

C9H12ClN3O — CID 4778956

IUPAC2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESClc1nccc(NCC2CCCO2)n1
InChIInChI=1S/C9H12ClN3O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,11,12,13)
InChIKeyZHORVDFEESSQLC-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.72
Rot. Bonds3

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

2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 4778956) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID4778956
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESClc1nccc(NCC2CCCO2)n1
InChIInChI=1S/C9H12ClN3O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,11,12,13)
InChIKeyZHORVDFEESSQLC-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 4778956) is 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is Clc1nccc(NCC2CCCO2)n1.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZHORVDFEESSQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-9-11-4-3-8(13-9)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,11,12,13).
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine?
2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 213.67 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 4778956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).