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

C13H15ClN4O — CID 80971716

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(C3CC3)nc(Cl)c2C)no1
InChIInChI=1S/C13H15ClN4O/c1-7-5-10(18-19-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyCWVORQLSVYTWDH-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.22
Rot. Bonds4

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

6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 80971716) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID80971716
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cc(CNc2nc(C3CC3)nc(Cl)c2C)no1
InChIInChI=1S/C13H15ClN4O/c1-7-5-10(18-19-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyCWVORQLSVYTWDH-UHFFFAOYSA-N
XLogP3.22
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.22
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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine (CID 80971716) is 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine is Cc1cc(CNc2nc(C3CC3)nc(Cl)c2C)no1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is CWVORQLSVYTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-7-5-10(18-19-7)6-15-12-8(2)11(14)16-13(17-12)9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 278.74 g/mol, XLogP of 3.22, 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-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80971716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).