1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C19H24N6O — CID 137035258

IUPAC1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(C3=CNCN=C3)cc2)CN(C(C)=O)CC1
InChIInChI=1S/C19H24N6O/c1-13(26)25-8-7-18(21-2)17(11-25)19(20)24-16-5-3-14(4-6-16)15-9-22-12-23-10-15/h3-6,9-10,21-22H,7-8,11-12H2,1-2H3,(H2,20,24)
InChIKeySVJVYHVWTAUJAB-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.37
Rot. Bonds4

About 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 137035258) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID137035258
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(C3=CNCN=C3)cc2)CN(C(C)=O)CC1
InChIInChI=1S/C19H24N6O/c1-13(26)25-8-7-18(21-2)17(11-25)19(20)24-16-5-3-14(4-6-16)15-9-22-12-23-10-15/h3-6,9-10,21-22H,7-8,11-12H2,1-2H3,(H2,20,24)
InChIKeySVJVYHVWTAUJAB-UHFFFAOYSA-N
XLogP1.37
TPSA95.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide 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

N-[4-[(2,6-diamino-4,5-dihydropyrimidin-5-yl)methyl]phenyl]acetamide
CID 44344984
US9763922, Example 24
CID 121373497
9-methyl-2-(methylamino)-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 764877
2-(benzylamino)-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1678649
1-[4-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenyl]pyridin-2-one
CID 141454447
(E)-9-methyl-2-(methylamino)-3-((p-tolylimino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 764885
2-(Benzylamino)-7-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 1243067
9-Methyl-3-[(E)-[(4-methylphenyl)imino]methyl]-2-(phenylamino)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 3275076
Pyrimidine, 5-p-aminophenyl-1,2-dihydro-1-methyl-2-oxo-
CID 130017438
4-Amino-1-[4-[(3-aminopropylamino)methyl]phenyl]-5-fluoropyrimidin-2-one
CID 66581315
4-Amino-1-[4-[[bis(3-aminopropyl)amino]methyl]phenyl]-5-fluoropyrimidin-2-one
CID 66581715
2-[(2S)-3-[[4-(6-ethyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)phenyl]methylamino]-2-fluoropropyl]guanidine
CID 70653765

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 137035258) is 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccc(C3=CNCN=C3)cc2)CN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is SVJVYHVWTAUJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(26)25-8-7-18(21-2)17(11-25)19(20)24-16-5-3-14(4-6-16)15-9-22-12-23-10-15/h3-6,9-10,21-22H,7-8,11-12H2,1-2H3,(H2,20,24).
What are the key properties of 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 352.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N'-[4-(1,2-dihydropyrimidin-5-yl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 137035258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).