5-chloro-N-(oxan-4-yl)pyrimidin-2-amine

C9H12ClN3O — CID 79557014

IUPAC5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
SMILESClc1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13)
InChIKeyGHFICXAPEMOYEA-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.72
Rot. Bonds2

About 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine

5-chloro-N-(oxan-4-yl)pyrimidin-2-amine (PubChem CID 79557014) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
PubChem CID79557014
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
SMILESClc1cnc(NC2CCOCC2)nc1
InChIInChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13)
InChIKeyGHFICXAPEMOYEA-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine (CID 79557014) is 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine is Clc1cnc(NC2CCOCC2)nc1.
What is the InChIKey of 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine?
The InChIKey is GHFICXAPEMOYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-7-5-11-9(12-6-7)13-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H,11,12,13).
What are the key properties of 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine?
5-chloro-N-(oxan-4-yl)pyrimidin-2-amine has a molecular weight of 213.67 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 79557014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).