2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine

C14H22N4O — CID 126822851

IUPAC2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
SMILESCOCc1nc(C)cc(N2CC(N3CCCC3)C2)n1
InChIInChI=1S/C14H22N4O/c1-11-7-14(16-13(15-11)10-19-2)18-8-12(9-18)17-5-3-4-6-17/h7,12H,3-6,8-10H2,1-2H3
InChIKeyNBOOOSRDWHRJPN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds4

About 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine

2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine (PubChem CID 126822851) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
PubChem CID126822851
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine
SMILESCOCc1nc(C)cc(N2CC(N3CCCC3)C2)n1
InChIInChI=1S/C14H22N4O/c1-11-7-14(16-13(15-11)10-19-2)18-8-12(9-18)17-5-3-4-6-17/h7,12H,3-6,8-10H2,1-2H3
InChIKeyNBOOOSRDWHRJPN-UHFFFAOYSA-N
XLogP1.22
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine (CID 126822851) is 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine is COCc1nc(C)cc(N2CC(N3CCCC3)C2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine?
The InChIKey is NBOOOSRDWHRJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-7-14(16-13(15-11)10-19-2)18-8-12(9-18)17-5-3-4-6-17/h7,12H,3-6,8-10H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine?
2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-6-(3-pyrrolidin-1-ylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 126822851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).