4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine

C11H12Cl2N4 — CID 65195570

IUPAC4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccn(C)n2)nc1Cl
InChIInChI=1S/C11H12Cl2N4/c1-6(2)8-9(12)14-11(15-10(8)13)7-4-5-17(3)16-7/h4-6H,1-3H3
InChIKeyGFARSTGXBLPSIK-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.31
Rot. Bonds2

About 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine

4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine (PubChem CID 65195570) has the molecular formula C11H12Cl2N4 and a molecular weight of 271.15 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
PubChem CID65195570
Molecular FormulaC11H12Cl2N4
Molecular Weight271.15 g/mol
Exact Mass270.04
IUPAC Name4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(-c2ccn(C)n2)nc1Cl
InChIInChI=1S/C11H12Cl2N4/c1-6(2)8-9(12)14-11(15-10(8)13)7-4-5-17(3)16-7/h4-6H,1-3H3
InChIKeyGFARSTGXBLPSIK-UHFFFAOYSA-N
XLogP3.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine
CID 65195458
4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-prop-1-ynylpyrimidine
CID 170563836
5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66293293
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66298716
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
CID 55247364
2-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 65197798
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
6-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 103132081
1-[3-(1-methylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 65198061
3-[4,6-dimethyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65293903

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine (CID 65195570) is 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(-c2ccn(C)n2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
The InChIKey is GFARSTGXBLPSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4/c1-6(2)8-9(12)14-11(15-10(8)13)7-4-5-17(3)16-7/h4-6H,1-3H3.
What are the key properties of 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine?
4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine has a molecular weight of 271.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 65195570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).