4-chloro-6-pentoxy-2-propylpyrimidine

C12H19ClN2O — CID 80939155

IUPAC4-chloro-6-pentoxy-2-propylpyrimidine
SMILESCCCCCOc1cc(Cl)nc(CCC)n1
InChIInChI=1S/C12H19ClN2O/c1-3-5-6-8-16-12-9-10(13)14-11(15-12)7-4-2/h9H,3-8H2,1-2H3
InChIKeyCMUXHRAAHBDXSP-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.65
Rot. Bonds7

About 4-chloro-6-pentoxy-2-propylpyrimidine

4-chloro-6-pentoxy-2-propylpyrimidine (PubChem CID 80939155) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-chloro-6-pentoxy-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-pentoxy-2-propylpyrimidine
PubChem CID80939155
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-chloro-6-pentoxy-2-propylpyrimidine
SMILESCCCCCOc1cc(Cl)nc(CCC)n1
InChIInChI=1S/C12H19ClN2O/c1-3-5-6-8-16-12-9-10(13)14-11(15-12)7-4-2/h9H,3-8H2,1-2H3
InChIKeyCMUXHRAAHBDXSP-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-6-pentoxy-2-propylpyrimidine 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-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-propylpyrimidine
CID 104561317
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-chloro-6-octoxy-2-propan-2-ylpyrimidine
CID 80948934
4-[(4-bromophenyl)methoxy]-6-chloro-2-propylpyrimidine
CID 82824581
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
[4-(6-chloro-2-propylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107742985
2-butoxy-6-chloropyridine-4-carbonyl chloride
CID 21275763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pentoxy-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-pentoxy-2-propylpyrimidine (CID 80939155) is 4-chloro-6-pentoxy-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-pentoxy-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-pentoxy-2-propylpyrimidine is CCCCCOc1cc(Cl)nc(CCC)n1.
What is the InChIKey of 4-chloro-6-pentoxy-2-propylpyrimidine?
The InChIKey is CMUXHRAAHBDXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-5-6-8-16-12-9-10(13)14-11(15-12)7-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-pentoxy-2-propylpyrimidine?
4-chloro-6-pentoxy-2-propylpyrimidine has a molecular weight of 242.75 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pentoxy-2-propylpyrimidine is sourced from PubChem (CID 80939155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).