4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine

C10H10ClN3 — CID 103341746

IUPAC4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1nc(Cl)c(C)c(-c2ccc[nH]2)n1
InChIInChI=1S/C10H10ClN3/c1-6-9(8-4-3-5-12-8)13-7(2)14-10(6)11/h3-5,12H,1-2H3
InChIKeyUDTOVTCQRPOUOU-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.74
Rot. Bonds1

About 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine

4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 103341746) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine
PubChem CID103341746
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1nc(Cl)c(C)c(-c2ccc[nH]2)n1
InChIInChI=1S/C10H10ClN3/c1-6-9(8-4-3-5-12-8)13-7(2)14-10(6)11/h3-5,12H,1-2H3
InChIKeyUDTOVTCQRPOUOU-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
CID 170388279
5,6-dimethyl-3-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341831
4,5-dimethyl-6-(1H-pyrrol-2-yl)pyridazin-3-amine
CID 103341793
5-methyl-2-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341932
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
4-chloro-6-(2-fluoro-3-methoxyphenyl)-2,5-dimethylpyrimidine
CID 82811061
5-methyl-6-(1H-pyrrol-2-yl)-1H-pyrimidine-4-thione
CID 106523099
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433
1-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
CID 116867629
4-(2,3-dichlorophenyl)-5-methyl-2-(1H-pyrrol-2-yl)-1H-imidazole
CID 150495232
2-[5-methyl-4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanol
CID 116867812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine (CID 103341746) is 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine is Cc1nc(Cl)c(C)c(-c2ccc[nH]2)n1.
What is the InChIKey of 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is UDTOVTCQRPOUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-6-9(8-4-3-5-12-8)13-7(2)14-10(6)11/h3-5,12H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine?
4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 207.66 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 103341746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).