N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

C12H14N4O — CID 3235487

IUPACN-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NC2CC2)n1
InChIInChI=1S/C12H14N4O/c1-7-11(8(2)17-16-7)12-13-6-5-10(15-12)14-9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,13,14,15)
InChIKeySHSPPHHPWGHIAE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.32
Rot. Bonds3

About N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (PubChem CID 3235487) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
PubChem CID3235487
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NC2CC2)n1
InChIInChI=1S/C12H14N4O/c1-7-11(8(2)17-16-7)12-13-6-5-10(15-12)14-9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,13,14,15)
InChIKeySHSPPHHPWGHIAE-UHFFFAOYSA-N
XLogP2.32
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (CID 3235487) is N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is Cc1noc(C)c1-c1nccc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The InChIKey is SHSPPHHPWGHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-11(8(2)17-16-7)12-13-6-5-10(15-12)14-9-3-4-9/h5-6,9H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine has a molecular weight of 230.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 3235487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).