3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C13H26N6 — CID 80904538

IUPAC3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCCc1c(NN)ncnc1NC(C)CCN(C)C
InChIInChI=1S/C13H26N6/c1-5-6-11-12(15-9-16-13(11)18-14)17-10(2)7-8-19(3)4/h9-10H,5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyOSMONMAEDXDALB-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.47
Rot. Bonds8

About 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 80904538) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID80904538
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCCCc1c(NN)ncnc1NC(C)CCN(C)C
InChIInChI=1S/C13H26N6/c1-5-6-11-12(15-9-16-13(11)18-14)17-10(2)7-8-19(3)4/h9-10H,5-8,14H2,1-4H3,(H2,15,16,17,18)
InChIKeyOSMONMAEDXDALB-UHFFFAOYSA-N
XLogP1.47
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
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-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine 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-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949550
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
6-hydrazinyl-N-methyl-N-pentan-2-yl-5-propylpyrimidin-4-amine
CID 80906528
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
CID 63024122
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
N-(1-cyclohexylethyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80918571
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 80900314

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 80904538) is 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CCCc1c(NN)ncnc1NC(C)CCN(C)C.
What is the InChIKey of 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is OSMONMAEDXDALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-5-6-11-12(15-9-16-13(11)18-14)17-10(2)7-8-19(3)4/h9-10H,5-8,14H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 266.39 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 80904538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).