2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

C9H9ClN4O — CID 103761590

IUPAC2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2ccnc(Cl)n2)o1
InChIInChI=1S/C9H9ClN4O/c1-6-4-13-8(15-6)5-12-7-2-3-11-9(10)14-7/h2-4H,5H2,1H3,(H,11,12,14)
InChIKeyNRIRMBNFYMZSCF-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 103761590) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID103761590
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2ccnc(Cl)n2)o1
InChIInChI=1S/C9H9ClN4O/c1-6-4-13-8(15-6)5-12-7-2-3-11-9(10)14-7/h2-4H,5H2,1H3,(H,11,12,14)
InChIKeyNRIRMBNFYMZSCF-UHFFFAOYSA-N
XLogP2.04
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 103761590) is 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2ccnc(Cl)n2)o1.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is NRIRMBNFYMZSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-6-4-13-8(15-6)5-12-7-2-3-11-9(10)14-7/h2-4H,5H2,1H3,(H,11,12,14).
What are the key properties of 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 224.65 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103761590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).