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

C14H18N4O — CID 126770224

IUPAC2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2c(C)noc2C)nc(C2CC2)n1
InChIInChI=1S/C14H18N4O/c1-8-6-13(17-14(16-8)11-4-5-11)15-7-12-9(2)18-19-10(12)3/h6,11H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyOEQPMLXWNDDMQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.88
Rot. Bonds4

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

2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 126770224) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID126770224
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2c(C)noc2C)nc(C2CC2)n1
InChIInChI=1S/C14H18N4O/c1-8-6-13(17-14(16-8)11-4-5-11)15-7-12-9(2)18-19-10(12)3/h6,11H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyOEQPMLXWNDDMQX-UHFFFAOYSA-N
XLogP2.88
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine (CID 126770224) is 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine is Cc1cc(NCc2c(C)noc2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is OEQPMLXWNDDMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-6-13(17-14(16-8)11-4-5-11)15-7-12-9(2)18-19-10(12)3/h6,11H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine?
2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126770224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).