2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one

C13H20N6O — CID 167535467

IUPAC2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one
SMILESCN1CCC(/N=C/C(=CN)Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N6O/c1-19-6-3-10(4-7-19)16-9-11(8-14)17-13-15-5-2-12(20)18-13/h2,5,8-10H,3-4,6-7,14H2,1H3,(H2,15,17,18,20)/b11-8?,16-9+
InChIKeyFPXRSFLRWYMCEQ-WEHMZTKHSA-N
MW276.34 g/mol
LogP0.15
Rot. Bonds4

About 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one

2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 167535467) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID167535467
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one
SMILESCN1CCC(/N=C/C(=CN)Nc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N6O/c1-19-6-3-10(4-7-19)16-9-11(8-14)17-13-15-5-2-12(20)18-13/h2,5,8-10H,3-4,6-7,14H2,1H3,(H2,15,17,18,20)/b11-8?,16-9+
InChIKeyFPXRSFLRWYMCEQ-WEHMZTKHSA-N
XLogP0.15
TPSA99.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one (CID 167535467) is 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one is CN1CCC(/N=C/C(=CN)Nc2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is FPXRSFLRWYMCEQ-WEHMZTKHSA-N. The full InChI is InChI=1S/C13H20N6O/c1-19-6-3-10(4-7-19)16-9-11(8-14)17-13-15-5-2-12(20)18-13/h2,5,8-10H,3-4,6-7,14H2,1H3,(H2,15,17,18,20)/b11-8?,16-9+.
What are the key properties of 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one?
2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 167535467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).