2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

C12H22N4O — CID 79088984

IUPAC2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-13-11-7-10(9-17-4)14-12(15-11)8-16(2)3/h7H,5-6,8-9H2,1-4H3,(H,13,14,15)
InChIKeyOTRSBQHYUKMXLF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds7

About 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine

2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (PubChem CID 79088984) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
PubChem CID79088984
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(CN(C)C)n1
InChIInChI=1S/C12H22N4O/c1-5-6-13-11-7-10(9-17-4)14-12(15-11)8-16(2)3/h7H,5-6,8-9H2,1-4H3,(H,13,14,15)
InChIKeyOTRSBQHYUKMXLF-UHFFFAOYSA-N
XLogP1.51
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-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

2-[2-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
2-benzyl-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62320410
6-(methoxymethyl)-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 62552293
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089262
6-cyclopropyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79088810
2-(1-methoxyethyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 79617577
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
2-[2-(dimethylamino)ethyl]-N,6-dipropylpyrimidin-4-amine
CID 115346995
2-(3-chloro-4-methylphenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 106818371
2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
2-[[2-methoxyethyl(methyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657360

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine (CID 79088984) is 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is CCCNc1cc(COC)nc(CN(C)C)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
The InChIKey is OTRSBQHYUKMXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-13-11-7-10(9-17-4)14-12(15-11)8-16(2)3/h7H,5-6,8-9H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine?
2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79088984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).