2-chloro-4-(3-methylbutoxy)pyrimidine

C9H13ClN2O — CID 62338305

IUPAC2-chloro-4-(3-methylbutoxy)pyrimidine
SMILESCC(C)CCOc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-7(2)4-6-13-8-3-5-11-9(10)12-8/h3,5,7H,4,6H2,1-2H3
InChIKeyATCSCCRUKMODBH-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.55
Rot. Bonds4

About 2-chloro-4-(3-methylbutoxy)pyrimidine

2-chloro-4-(3-methylbutoxy)pyrimidine (PubChem CID 62338305) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-4-(3-methylbutoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-methylbutoxy)pyrimidine
PubChem CID62338305
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-4-(3-methylbutoxy)pyrimidine
SMILESCC(C)CCOc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN2O/c1-7(2)4-6-13-8-3-5-11-9(10)12-8/h3,5,7H,4,6H2,1-2H3
InChIKeyATCSCCRUKMODBH-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylbutoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(3-methylbutoxy)pyrimidine (CID 62338305) is 2-chloro-4-(3-methylbutoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-methylbutoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-methylbutoxy)pyrimidine is CC(C)CCOc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(3-methylbutoxy)pyrimidine?
The InChIKey is ATCSCCRUKMODBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-7(2)4-6-13-8-3-5-11-9(10)12-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 2-chloro-4-(3-methylbutoxy)pyrimidine?
2-chloro-4-(3-methylbutoxy)pyrimidine has a molecular weight of 200.67 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylbutoxy)pyrimidine is sourced from PubChem (CID 62338305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).