4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine

C14H23ClN2O3 — CID 103177544

IUPAC4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
SMILESCOCCCOCCOc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C14H23ClN2O3/c1-10(2)13-16-12(15)11(3)14(17-13)20-9-8-19-7-5-6-18-4/h10H,5-9H2,1-4H3
InChIKeyVICOQPVWWNUJFC-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.99
Rot. Bonds9

About 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 103177544) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
PubChem CID103177544
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine
SMILESCOCCCOCCOc1nc(C(C)C)nc(Cl)c1C
InChIInChI=1S/C14H23ClN2O3/c1-10(2)13-16-12(15)11(3)14(17-13)20-9-8-19-7-5-6-18-4/h10H,5-9H2,1-4H3
InChIKeyVICOQPVWWNUJFC-UHFFFAOYSA-N
XLogP2.99
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(2-ethoxyethoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80974281
4-chloro-2-cyclopropyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidine
CID 103177522
4-chloro-6-(2-methoxyethoxy)-2,5-dimethylpyrimidine
CID 63735529
4-chloro-5-methyl-6-(oxan-4-ylmethoxy)-2-propan-2-ylpyrimidine
CID 80972734
N,5-dimethyl-2-propan-2-yl-6-(2-propoxyethoxy)pyrimidin-4-amine
CID 80990512
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 103176459
2-[2-(3-methoxypropoxy)ethoxy]-6-methylpyridin-3-amine
CID 103176853
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80989543
4-chloro-5-methyl-6-(oxolan-3-yloxy)-2-propan-2-ylpyrimidine
CID 80974230
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine (CID 103177544) is 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine is COCCCOCCOc1nc(C(C)C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is VICOQPVWWNUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c1-10(2)13-16-12(15)11(3)14(17-13)20-9-8-19-7-5-6-18-4/h10H,5-9H2,1-4H3.
What are the key properties of 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 302.80 g/mol, XLogP of 2.99, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(3-methoxypropoxy)ethoxy]-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 103177544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).