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

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Related Compounds

N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide
CID 123394548
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
2-[(1-methylsulfinylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 126668694
2-(chloroamino)-1H-pyrimidin-6-one
CID 118878387
cyclohexanamine;2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 145268956
N-[2-[2-[[1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide;N-[2-(2-chloropyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-[(2-methylpropan-2-yl)oxy]azetidine-1-carboxamide;1-(1-methylpiperidin-4-yl)pyrazol-4-amine
CID 167601170
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide
CID 58168114
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide
CID 138031647
2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
CID 79659297
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
2-(1-methylpiperidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 138591006
2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136767846

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).