4-chloro-6-octoxy-2-propan-2-ylpyrimidine

C15H25ClN2O — CID 80948934

IUPAC4-chloro-6-octoxy-2-propan-2-ylpyrimidine
SMILESCCCCCCCCOc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C15H25ClN2O/c1-4-5-6-7-8-9-10-19-14-11-13(16)17-15(18-14)12(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJUBSQNCWVOVKAH-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.99
Rot. Bonds9

About 4-chloro-6-octoxy-2-propan-2-ylpyrimidine

4-chloro-6-octoxy-2-propan-2-ylpyrimidine (PubChem CID 80948934) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-chloro-6-octoxy-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-octoxy-2-propan-2-ylpyrimidine
PubChem CID80948934
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-chloro-6-octoxy-2-propan-2-ylpyrimidine
SMILESCCCCCCCCOc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C15H25ClN2O/c1-4-5-6-7-8-9-10-19-14-11-13(16)17-15(18-14)12(2)3/h11-12H,4-10H2,1-3H3
InChIKeyJUBSQNCWVOVKAH-UHFFFAOYSA-N
XLogP4.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-heptoxy-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955663
4-chloro-6-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidine
CID 106201356
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
4-chloro-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
CID 80949502
6-butoxy-N-cyclopentyl-2-propan-2-ylpyrimidin-4-amine
CID 82454374
4-chloro-2-methyl-6-(4-methylpentoxy)pyrimidine
CID 62481699
2-butoxy-6-chloropyridine-4-carbonyl chloride
CID 21275763
N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
2-chloro-4-hexoxy-6-(trifluoromethyl)pyrimidine
CID 114561993
4-chloro-6-(3-methylbutoxy)-2-(4-octylphenyl)sulfanylpyrimidine
CID 19006817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-octoxy-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-octoxy-2-propan-2-ylpyrimidine (CID 80948934) is 4-chloro-6-octoxy-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-octoxy-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-octoxy-2-propan-2-ylpyrimidine is CCCCCCCCOc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-6-octoxy-2-propan-2-ylpyrimidine?
The InChIKey is JUBSQNCWVOVKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-5-6-7-8-9-10-19-14-11-13(16)17-15(18-14)12(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-chloro-6-octoxy-2-propan-2-ylpyrimidine?
4-chloro-6-octoxy-2-propan-2-ylpyrimidine has a molecular weight of 284.83 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-octoxy-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80948934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).