4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine

C10H9Cl2FN4 — CID 103572472

IUPAC4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(Cl)c(F)c(Cl)n2)cn1
InChIInChI=1S/C10H9Cl2FN4/c1-2-3-17-5-6(4-14-17)10-15-8(11)7(13)9(12)16-10/h4-5H,2-3H2,1H3
InChIKeyOAAGMYRZWAMKMG-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.20
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine (PubChem CID 103572472) has the molecular formula C10H9Cl2FN4 and a molecular weight of 275.11 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
PubChem CID103572472
Molecular FormulaC10H9Cl2FN4
Molecular Weight275.11 g/mol
Exact Mass274.02
IUPAC Name4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(Cl)c(F)c(Cl)n2)cn1
InChIInChI=1S/C10H9Cl2FN4/c1-2-3-17-5-6(4-14-17)10-15-8(11)7(13)9(12)16-10/h4-5H,2-3H2,1H3
InChIKeyOAAGMYRZWAMKMG-UHFFFAOYSA-N
XLogP3.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
CID 171921636
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
4-chloro-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80975700
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
5-fluoro-2-(1-propylpyrazol-4-yl)phenol
CID 83130519

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine (CID 103572472) is 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2nc(Cl)c(F)c(Cl)n2)cn1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is OAAGMYRZWAMKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FN4/c1-2-3-17-5-6(4-14-17)10-15-8(11)7(13)9(12)16-10/h4-5H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 275.11 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 103572472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).