4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine

C10H10ClN3 — CID 103341689

IUPAC4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc[nH]2)n1
InChIInChI=1S/C10H10ClN3/c1-2-10-13-8(6-9(11)14-10)7-4-3-5-12-7/h3-6,12H,2H2,1H3
InChIKeyBXSOTPFVBPLXTK-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine

4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 103341689) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine
PubChem CID103341689
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine
SMILESCCc1nc(Cl)cc(-c2ccc[nH]2)n1
InChIInChI=1S/C10H10ClN3/c1-2-10-13-8(6-9(11)14-10)7-4-3-5-12-7/h3-6,12H,2H2,1H3
InChIKeyBXSOTPFVBPLXTK-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(2,3-dichlorophenyl)-2-ethylpyrimidine
CID 80936131
4-chloro-6-(5-chlorothiophen-2-yl)-2-ethylpyrimidine
CID 80936573
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
4-chloro-2-ethyl-6-(4-propan-2-ylphenyl)pyrimidine
CID 80936220
2-(methoxymethyl)-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341838
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852
4-chloro-6-(4-chloro-3-methoxyphenyl)-2-ethylpyrimidine
CID 80935506
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304
4-chloro-2,6-diethylpyrimidine
CID 43557605
4-chloro-2-ethyl-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80936661
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanenitrile
CID 116895123
2-ethyl-5-(1H-pyrrol-2-yl)pyrazine
CID 160769784

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine (CID 103341689) is 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine is CCc1nc(Cl)cc(-c2ccc[nH]2)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is BXSOTPFVBPLXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-2-10-13-8(6-9(11)14-10)7-4-3-5-12-7/h3-6,12H,2H2,1H3.
What are the key properties of 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine?
4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 207.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 103341689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).