4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine

C13H17ClN2O — CID 114470154

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
SMILESC=C(C)CCOc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H17ClN2O/c1-8(2)6-7-17-13-9(3)11(14)15-12(16-13)10-4-5-10/h10H,1,4-7H2,2-3H3
InChIKeyPZXPTIXDUCEJCV-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine (PubChem CID 114470154) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
PubChem CID114470154
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine
SMILESC=C(C)CCOc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H17ClN2O/c1-8(2)6-7-17-13-9(3)11(14)15-12(16-13)10-4-5-10/h10H,1,4-7H2,2-3H3
InChIKeyPZXPTIXDUCEJCV-UHFFFAOYSA-N
XLogP3.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine (CID 114470154) is 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine is C=C(C)CCOc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine?
The InChIKey is PZXPTIXDUCEJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8(2)6-7-17-13-9(3)11(14)15-12(16-13)10-4-5-10/h10H,1,4-7H2,2-3H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine has a molecular weight of 252.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-(3-methylbut-3-enoxy)pyrimidine is sourced from PubChem (CID 114470154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).