N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide

C7H11N3O — CID 152756178

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1=NCCCN1
InChIInChI=1S/C7H11N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2H,1,3-5H2,(H2,8,9,10,11)
InChIKeySFOPQAIVUNLYMH-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.36
Rot. Bonds1

About N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide

N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide (PubChem CID 152756178) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide
PubChem CID152756178
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide
SMILESC=CC(=O)NC1=NCCCN1
InChIInChI=1S/C7H11N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2H,1,3-5H2,(H2,8,9,10,11)
InChIKeySFOPQAIVUNLYMH-UHFFFAOYSA-N
XLogP-0.36
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide 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-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 14063729
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide
CID 10012329
N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 158648372
2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide
CID 119113118
tert-butyl 2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetate;hydroiodide
CID 119135660
1-(2-chloro-6-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-yl)urea;hydrate;hydrochloride
CID 12790791
N-(cyclopenten-1-yl)prop-2-enamide
CID 130013506
N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
CID 18996483
4-anilino-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide;butane;ethane;methane
CID 167576537
3-hydroxy-5-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid
CID 21306719
1,1-dimethyl-3-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]urea
CID 120655377
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide (CID 152756178) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide is C=CC(=O)NC1=NCCCN1.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide?
The InChIKey is SFOPQAIVUNLYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2H,1,3-5H2,(H2,8,9,10,11).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide has a molecular weight of 153.19 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide is sourced from PubChem (CID 152756178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).