4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine

C15H18N4OS — CID 135274324

IUPAC4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cnn(C3COC3)c2CC2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-21-15-16-5-4-13(18-15)12-7-17-19(11-8-20-9-11)14(12)6-10-2-3-10/h4-5,7,10-11H,2-3,6,8-9H2,1H3
InChIKeyLHGJWAAYYBJZDL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.59
Rot. Bonds5

About 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine

4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine (PubChem CID 135274324) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
PubChem CID135274324
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cnn(C3COC3)c2CC2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-21-15-16-5-4-13(18-15)12-7-17-19(11-8-20-9-11)14(12)6-10-2-3-10/h4-5,7,10-11H,2-3,6,8-9H2,1H3
InChIKeyLHGJWAAYYBJZDL-UHFFFAOYSA-N
XLogP2.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine 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 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine (CID 135274324) is 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine is CSc1nccc(-c2cnn(C3COC3)c2CC2CC2)n1.
What is the InChIKey of 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine?
The InChIKey is LHGJWAAYYBJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-21-15-16-5-4-13(18-15)12-7-17-19(11-8-20-9-11)14(12)6-10-2-3-10/h4-5,7,10-11H,2-3,6,8-9H2,1H3.
What are the key properties of 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine?
4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine has a molecular weight of 302.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylmethyl)-1-(oxetan-3-yl)pyrazol-4-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 135274324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).