3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide

C8H13ClN6O — CID 80903270

IUPAC3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN6O/c1-11-6(16)2-3-12-7-5(9)4-13-8(14-7)15-10/h4H,2-3,10H2,1H3,(H,11,16)(H2,12,13,14,15)
InChIKeyNIWGUNPAPPNGPN-UHFFFAOYSA-N
MW244.69 g/mol
LogP-0.04
Rot. Bonds5

About 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide

3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80903270) has the molecular formula C8H13ClN6O and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80903270
Molecular FormulaC8H13ClN6O
Molecular Weight244.69 g/mol
Exact Mass244.08
IUPAC Name3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN6O/c1-11-6(16)2-3-12-7-5(9)4-13-8(14-7)15-10/h4H,2-3,10H2,1H3,(H,11,16)(H2,12,13,14,15)
InChIKeyNIWGUNPAPPNGPN-UHFFFAOYSA-N
XLogP-0.04
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide 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

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787750
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-N-(3-fluoropropyl)-2-hydrazinylpyrimidin-4-amine
CID 130505153
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908156
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 80903270) is 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc(NN)ncc1Cl.
What is the InChIKey of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is NIWGUNPAPPNGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6O/c1-11-6(16)2-3-12-7-5(9)4-13-8(14-7)15-10/h4H,2-3,10H2,1H3,(H,11,16)(H2,12,13,14,15).
What are the key properties of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide?
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 244.69 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).