N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

C12H12F3N5O — CID 167067348

IUPACN-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2ccnn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C12H12F3N5O/c1-21-10-8(12(13,14)15)6-16-11(19-10)18-9-4-5-17-20(9)7-2-3-7/h4-7H,2-3H2,1H3,(H,16,18,19)
InChIKeyKSKWCTDSPGTEJX-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.78
Rot. Bonds4

About N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167067348) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167067348
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC NameN-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(Nc2ccnn2C2CC2)ncc1C(F)(F)F
InChIInChI=1S/C12H12F3N5O/c1-21-10-8(12(13,14)15)6-16-11(19-10)18-9-4-5-17-20(9)7-2-3-7/h4-7H,2-3H2,1H3,(H,16,18,19)
InChIKeyKSKWCTDSPGTEJX-UHFFFAOYSA-N
XLogP2.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (CID 167067348) is N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(Nc2ccnn2C2CC2)ncc1C(F)(F)F.
What is the InChIKey of N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KSKWCTDSPGTEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-21-10-8(12(13,14)15)6-16-11(19-10)18-9-4-5-17-20(9)7-2-3-7/h4-7H,2-3H2,1H3,(H,16,18,19).
What are the key properties of N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167067348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).