1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine

C9H16N6O — CID 107590564

IUPAC1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
SMILESCOCCC/N=C(\NN)Nc1cncnc1
InChIInChI=1S/C9H16N6O/c1-16-4-2-3-13-9(15-10)14-8-5-11-7-12-6-8/h5-7H,2-4,10H2,1H3,(H2,13,14,15)
InChIKeyLGCLVTXIJIZCLT-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.26
Rot. Bonds5

About 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine

1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine (PubChem CID 107590564) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
PubChem CID107590564
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
SMILESCOCCC/N=C(\NN)Nc1cncnc1
InChIInChI=1S/C9H16N6O/c1-16-4-2-3-13-9(15-10)14-8-5-11-7-12-6-8/h5-7H,2-4,10H2,1H3,(H2,13,14,15)
InChIKeyLGCLVTXIJIZCLT-UHFFFAOYSA-N
XLogP-0.26
TPSA97.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine 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

1-amino-2-(3-methoxypropyl)-3-(3,4,5-trifluorophenyl)guanidine
CID 116511165
1-amino-3-(3-bromo-5-methylphenyl)-2-(3-methoxypropyl)guanidine
CID 107581236
1-amino-3-(3-bromo-4-chlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116515767
1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
CID 116511413
1-amino-3-(3-fluoro-4-methoxyphenyl)-2-(3-methoxypropyl)guanidine
CID 116513187
1-amino-2-(3-methoxypropyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106283168
1-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(3-methoxypropyl)guanidine
CID 116513750
1-amino-3-(2,5-dichlorophenyl)-2-(3-methoxypropyl)guanidine
CID 116511445
1-amino-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine
CID 116516053
1-amino-3-(2-ethyl-6-methylphenyl)-2-(3-methoxypropyl)guanidine
CID 116511453
2-amino-5-methoxy-N-pyrimidin-5-ylpentanamide
CID 107588458
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine?
The IUPAC name of 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine (CID 107590564) is 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine.
What is the SMILES notation for 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine?
The canonical SMILES for 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine is COCCC/N=C(\NN)Nc1cncnc1.
What is the InChIKey of 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine?
The InChIKey is LGCLVTXIJIZCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-16-4-2-3-13-9(15-10)14-8-5-11-7-12-6-8/h5-7H,2-4,10H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine?
1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine has a molecular weight of 224.27 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine is sourced from PubChem (CID 107590564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).