6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

C12H13ClN4O — CID 81177397

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1ccon1
InChIInChI=1S/C12H13ClN4O/c1-7-10(13)15-12(8-2-3-8)16-11(7)14-6-9-4-5-18-17-9/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyUIFFSZFOSHYWBP-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.92
Rot. Bonds4

About 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 81177397) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID81177397
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1ccon1
InChIInChI=1S/C12H13ClN4O/c1-7-10(13)15-12(8-2-3-8)16-11(7)14-6-9-4-5-18-17-9/h4-5,8H,2-3,6H2,1H3,(H,14,15,16)
InChIKeyUIFFSZFOSHYWBP-UHFFFAOYSA-N
XLogP2.92
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine (CID 81177397) is 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCc1ccon1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UIFFSZFOSHYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-10(13)15-12(8-2-3-8)16-11(7)14-6-9-4-5-18-17-9/h4-5,8H,2-3,6H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 264.72 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 81177397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).