N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C17H21N3O2 — CID 126445760

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C17H21N3O2/c1-20(10-13-5-3-4-6-16(13)21-2)17-9-15(18-12-19-17)14-7-8-22-11-14/h3-6,9,12,14H,7-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeySTIHEZLBOSHADP-AWEZNQCLSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126445760) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126445760
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1cc([C@H]2CCOC2)ncn1
InChIInChI=1S/C17H21N3O2/c1-20(10-13-5-3-4-6-16(13)21-2)17-9-15(18-12-19-17)14-7-8-22-11-14/h3-6,9,12,14H,7-8,10-11H2,1-2H3/t14-/m0/s1
InChIKeySTIHEZLBOSHADP-AWEZNQCLSA-N
XLogP2.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine 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 N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126445760) is N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is COc1ccccc1CN(C)c1cc([C@H]2CCOC2)ncn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is STIHEZLBOSHADP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(10-13-5-3-4-6-16(13)21-2)17-9-15(18-12-19-17)14-7-8-22-11-14/h3-6,9,12,14H,7-8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 299.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126445760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).