6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

C8H7ClN4O — CID 81178029

IUPAC6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2ccon2)ncn1
InChIInChI=1S/C8H7ClN4O/c9-7-3-8(12-5-11-7)10-4-6-1-2-14-13-6/h1-3,5H,4H2,(H,10,11,12)
InChIKeyIDJLWVLPOWAIGM-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.73
Rot. Bonds3

About 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 81178029) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID81178029
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESClc1cc(NCc2ccon2)ncn1
InChIInChI=1S/C8H7ClN4O/c9-7-3-8(12-5-11-7)10-4-6-1-2-14-13-6/h1-3,5H,4H2,(H,10,11,12)
InChIKeyIDJLWVLPOWAIGM-UHFFFAOYSA-N
XLogP1.73
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (CID 81178029) is 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is Clc1cc(NCc2ccon2)ncn1.
What is the InChIKey of 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is IDJLWVLPOWAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-7-3-8(12-5-11-7)10-4-6-1-2-14-13-6/h1-3,5H,4H2,(H,10,11,12).
What are the key properties of 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 210.62 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81178029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).