2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine

C13H17N5O — CID 114702220

IUPAC2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCOCc1nc(N)cc(NCc2ccncc2C)n1
InChIInChI=1S/C13H17N5O/c1-9-6-15-4-3-10(9)7-16-12-5-11(14)17-13(18-12)8-19-2/h3-6H,7-8H2,1-2H3,(H3,14,16,17,18)
InChIKeySCOORXDVZIFSEJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.52
Rot. Bonds5

About 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine

2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 114702220) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID114702220
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCOCc1nc(N)cc(NCc2ccncc2C)n1
InChIInChI=1S/C13H17N5O/c1-9-6-15-4-3-10(9)7-16-12-5-11(14)17-13(18-12)8-19-2/h3-6H,7-8H2,1-2H3,(H3,14,16,17,18)
InChIKeySCOORXDVZIFSEJ-UHFFFAOYSA-N
XLogP1.52
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine 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

2-(methoxymethyl)-6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114957956
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
6-bromo-2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 114701517
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106378823
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 114702346
2-methyl-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carbothioamide
CID 114768022
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702297
6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 114702220) is 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine is COCc1nc(N)cc(NCc2ccncc2C)n1.
What is the InChIKey of 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is SCOORXDVZIFSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-6-15-4-3-10(9)7-16-12-5-11(14)17-13(18-12)8-19-2/h3-6H,7-8H2,1-2H3,(H3,14,16,17,18).
What are the key properties of 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine?
2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 259.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114702220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).