2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine

C16H21N5O2 — CID 126441110

IUPAC2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
SMILESCOCc1nc([C@H]2CCOC2)cc(N2CC(n3cccn3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-22-11-15-18-14(12-3-6-23-10-12)7-16(19-15)20-8-13(9-20)21-5-2-4-17-21/h2,4-5,7,12-13H,3,6,8-11H2,1H3/t12-/m0/s1
InChIKeyGNHGPOYFASICPT-LBPRGKRZSA-N
MW315.38 g/mol
LogP1.38
Rot. Bonds5

About 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine

2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine (PubChem CID 126441110) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
PubChem CID126441110
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
SMILESCOCc1nc([C@H]2CCOC2)cc(N2CC(n3cccn3)C2)n1
InChIInChI=1S/C16H21N5O2/c1-22-11-15-18-14(12-3-6-23-10-12)7-16(19-15)20-8-13(9-20)21-5-2-4-17-21/h2,4-5,7,12-13H,3,6,8-11H2,1H3/t12-/m0/s1
InChIKeyGNHGPOYFASICPT-LBPRGKRZSA-N
XLogP1.38
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-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-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine?
The IUPAC name of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine (CID 126441110) is 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine?
The canonical SMILES for 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine is COCc1nc([C@H]2CCOC2)cc(N2CC(n3cccn3)C2)n1.
What is the InChIKey of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine?
The InChIKey is GNHGPOYFASICPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-22-11-15-18-14(12-3-6-23-10-12)7-16(19-15)20-8-13(9-20)21-5-2-4-17-21/h2,4-5,7,12-13H,3,6,8-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine?
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine has a molecular weight of 315.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 126441110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).