4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine

C11H17ClN2O2 — CID 116706238

IUPAC4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine
SMILESCOCc1cc(Cl)nc(C(OC)C(C)C)n1
InChIInChI=1S/C11H17ClN2O2/c1-7(2)10(16-4)11-13-8(6-15-3)5-9(12)14-11/h5,7,10H,6H2,1-4H3
InChIKeyNJJZEWXZEYGHPF-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.62
Rot. Bonds5

About 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine (PubChem CID 116706238) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine
PubChem CID116706238
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine
SMILESCOCc1cc(Cl)nc(C(OC)C(C)C)n1
InChIInChI=1S/C11H17ClN2O2/c1-7(2)10(16-4)11-13-8(6-15-3)5-9(12)14-11/h5,7,10H,6H2,1-4H3
InChIKeyNJJZEWXZEYGHPF-UHFFFAOYSA-N
XLogP2.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine (CID 116706238) is 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine is COCc1cc(Cl)nc(C(OC)C(C)C)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine?
The InChIKey is NJJZEWXZEYGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-7(2)10(16-4)11-13-8(6-15-3)5-9(12)14-11/h5,7,10H,6H2,1-4H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine has a molecular weight of 244.72 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine is sourced from PubChem (CID 116706238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).