N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide

C7H14N4O — CID 10012329

IUPACN'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide
SMILESCCC(=O)NNC1=NCCCN1
InChIInChI=1S/C7H14N4O/c1-2-6(12)10-11-7-8-4-3-5-9-7/h2-5H2,1H3,(H,10,12)(H2,8,9,11)
InChIKeySPUDUJPTSNTOSZ-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.63
Rot. Bonds1

About N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide

N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide (PubChem CID 10012329) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide
PubChem CID10012329
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide
SMILESCCC(=O)NNC1=NCCCN1
InChIInChI=1S/C7H14N4O/c1-2-6(12)10-11-7-8-4-3-5-9-7/h2-5H2,1H3,(H,10,12)(H2,8,9,11)
InChIKeySPUDUJPTSNTOSZ-UHFFFAOYSA-N
XLogP-0.63
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide 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

2,2-dimethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]propanamide
CID 119113118
(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
CID 130685314
N-(1,4,5,6-tetrahydropyrimidin-2-yl)prop-2-enamide
CID 152756178
1,4,5,6-tetrahydropyrimidin-2-yl propanoate
CID 54446219
N-[2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-ylamino)ethyl]acetamide
CID 164661243
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
CID 130778822
tert-butyl N-ethyl-N-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate
CID 110935245
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360
N,N-dimethyl-1-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]cyclopentane-1-carboxamide;hydroiodide
CID 119129767
N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide
CID 131224552
tert-butyl 2,2-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butanoate;hydroiodide
CID 122125604
N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
CID 18996483

Frequently Asked Questions

What is the IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide?
The IUPAC name of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide (CID 10012329) is N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide.
What is the SMILES notation for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide?
The canonical SMILES for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide is CCC(=O)NNC1=NCCCN1.
What is the InChIKey of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide?
The InChIKey is SPUDUJPTSNTOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-2-6(12)10-11-7-8-4-3-5-9-7/h2-5H2,1H3,(H,10,12)(H2,8,9,11).
What are the key properties of N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide?
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide has a molecular weight of 170.22 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propanehydrazide is sourced from PubChem (CID 10012329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).