2-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C7H12N4O — CID 83695203

IUPAC2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nccc(N)n1
InChIInChI=1S/C7H12N4O/c1-12-5-4-10-7-9-3-2-6(8)11-7/h2-3H,4-5H2,1H3,(H3,8,9,10,11)
InChIKeyLFVCXHICFKNQSV-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.12
Rot. Bonds4

About 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine

2-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 83695203) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID83695203
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCOCCNc1nccc(N)n1
InChIInChI=1S/C7H12N4O/c1-12-5-4-10-7-9-3-2-6(8)11-7/h2-3H,4-5H2,1H3,(H3,8,9,10,11)
InChIKeyLFVCXHICFKNQSV-UHFFFAOYSA-N
XLogP0.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(2-methoxyethyl)pyrimidine-2,4-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

4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-(2-methoxyethyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112885911
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 83695203) is 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine is COCCNc1nccc(N)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is LFVCXHICFKNQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-12-5-4-10-7-9-3-2-6(8)11-7/h2-3H,4-5H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 168.20 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83695203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).