4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine

C12H22N4O2 — CID 107541800

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCN(CCOC)c1nccc(CN)n1
InChIInChI=1S/C12H22N4O2/c1-17-8-3-6-16(7-9-18-2)12-14-5-4-11(10-13)15-12/h4-5H,3,6-10,13H2,1-2H3
InChIKeyTWSBBHHINSHRIP-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.42
Rot. Bonds9

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine

4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine (PubChem CID 107541800) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine
PubChem CID107541800
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine
SMILESCOCCCN(CCOC)c1nccc(CN)n1
InChIInChI=1S/C12H22N4O2/c1-17-8-3-6-16(7-9-18-2)12-14-5-4-11(10-13)15-12/h4-5H,3,6-10,13H2,1-2H3
InChIKeyTWSBBHHINSHRIP-UHFFFAOYSA-N
XLogP0.42
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-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-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-4-amine
CID 62284664
2-N,2-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 115978115
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 62284666
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
6-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62286223
4-(aminomethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 134264948
5-(2-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 80634663
N'-(2-methoxyethyl)-N'-(5-methylpyrimidin-2-yl)propane-1,3-diamine
CID 63287741
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055
[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
CID 54989948
5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-2-amine
CID 66233200

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine (CID 107541800) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine is COCCCN(CCOC)c1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
The InChIKey is TWSBBHHINSHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-17-8-3-6-16(7-9-18-2)12-14-5-4-11(10-13)15-12/h4-5H,3,6-10,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine has a molecular weight of 254.33 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 107541800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).