N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

C13H15N3O — CID 61253758

IUPACN-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2ccncn2)c1
InChIInChI=1S/C13H15N3O/c1-17-9-12-4-2-3-11(7-12)8-15-13-5-6-14-10-16-13/h2-7,10H,8-9H2,1H3,(H,14,15,16)
InChIKeyFABSAXUZUNKWKT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.24
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine

N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 61253758) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID61253758
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cccc(CNc2ccncn2)c1
InChIInChI=1S/C13H15N3O/c1-17-9-12-4-2-3-11(7-12)8-15-13-5-6-14-10-16-13/h2-7,10H,8-9H2,1H3,(H,14,15,16)
InChIKeyFABSAXUZUNKWKT-UHFFFAOYSA-N
XLogP2.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(methoxymethyl)phenyl]methyl]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

Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
5-iodo-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 66342329
3-N-[[3-(methoxymethyl)phenyl]methyl]pyrazine-2,3-diamine
CID 113228936
6-chloro-2-cyclopropyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 103879876
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 106875542
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 61252594
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 61253758) is N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is COCc1cccc(CNc2ccncn2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is FABSAXUZUNKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-9-12-4-2-3-11(7-12)8-15-13-5-6-14-10-16-13/h2-7,10H,8-9H2,1H3,(H,14,15,16).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine?
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 229.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 61253758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).