4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine

C11H13ClN4 — CID 80945558

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H13ClN4/c1-3-4-11-14-9(5-10(12)15-11)8-6-13-16(2)7-8/h5-7H,3-4H2,1-2H3
InChIKeyAPTWACZTRCDNGJ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine

4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine (PubChem CID 80945558) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
PubChem CID80945558
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C11H13ClN4/c1-3-4-11-14-9(5-10(12)15-11)8-6-13-16(2)7-8/h5-7H,3-4H2,1-2H3
InChIKeyAPTWACZTRCDNGJ-UHFFFAOYSA-N
XLogP2.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine (CID 80945558) is 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine is CCCc1nc(Cl)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine?
The InChIKey is APTWACZTRCDNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-4-11-14-9(5-10(12)15-11)8-6-13-16(2)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine?
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine is sourced from PubChem (CID 80945558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).