4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine

C12H15ClN4 — CID 65195458

IUPAC4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
SMILESCc1nc(-c2ccn(C)n2)nc(Cl)c1C(C)C
InChIInChI=1S/C12H15ClN4/c1-7(2)10-8(3)14-12(15-11(10)13)9-5-6-17(4)16-9/h5-7H,1-4H3
InChIKeyWRVYLXGVTGOQPV-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.96
Rot. Bonds2

About 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine

4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine (PubChem CID 65195458) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
PubChem CID65195458
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
SMILESCc1nc(-c2ccn(C)n2)nc(Cl)c1C(C)C
InChIInChI=1S/C12H15ClN4/c1-7(2)10-8(3)14-12(15-11(10)13)9-5-6-17(4)16-9/h5-7H,1-4H3
InChIKeyWRVYLXGVTGOQPV-UHFFFAOYSA-N
XLogP2.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine (CID 65195458) is 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine is Cc1nc(-c2ccn(C)n2)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
The InChIKey is WRVYLXGVTGOQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-7(2)10-8(3)14-12(15-11(10)13)9-5-6-17(4)16-9/h5-7H,1-4H3.
What are the key properties of 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine has a molecular weight of 250.73 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 65195458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).