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

C13H16Cl2N4 — CID 103572455

IUPAC4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cn1
InChIInChI=1S/C13H16Cl2N4/c1-4-5-19-7-9(6-16-19)13-17-11(14)10(8(2)3)12(15)18-13/h6-8H,4-5H2,1-3H3
InChIKeyXODRGBQMKOETKC-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.18
Rot. Bonds4

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

4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine (PubChem CID 103572455) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.21 g/mol. Its IUPAC name is 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
PubChem CID103572455
Molecular FormulaC13H16Cl2N4
Molecular Weight299.21 g/mol
Exact Mass298.08
IUPAC Name4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cn1
InChIInChI=1S/C13H16Cl2N4/c1-4-5-19-7-9(6-16-19)13-17-11(14)10(8(2)3)12(15)18-13/h6-8H,4-5H2,1-3H3
InChIKeyXODRGBQMKOETKC-UHFFFAOYSA-N
XLogP4.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446
4-chloro-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80975700
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
[2-(1-propylpyrazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103573096
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
4,6-dichloro-2-(4-methylphenyl)-5-propan-2-ylpyrimidine
CID 55247364
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine (CID 103572455) is 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2nc(Cl)c(C(C)C)c(Cl)n2)cn1.
What is the InChIKey of 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is XODRGBQMKOETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-4-5-19-7-9(6-16-19)13-17-11(14)10(8(2)3)12(15)18-13/h6-8H,4-5H2,1-3H3.
What are the key properties of 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine?
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 299.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 103572455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).