N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine

C14H28N6 — CID 81000696

IUPACN',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCc1nc(NN)c(C)c(NCCN(CC)CC)n1
InChIInChI=1S/C14H28N6/c1-5-8-12-17-13(11(4)14(18-12)19-15)16-9-10-20(6-2)7-3/h5-10,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyTXBXAZIDIQVMOA-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.78
Rot. Bonds9

About N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 81000696) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID81000696
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC NameN',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCCCc1nc(NN)c(C)c(NCCN(CC)CC)n1
InChIInChI=1S/C14H28N6/c1-5-8-12-17-13(11(4)14(18-12)19-15)16-9-10-20(6-2)7-3/h5-10,15H2,1-4H3,(H2,16,17,18,19)
InChIKeyTXBXAZIDIQVMOA-UHFFFAOYSA-N
XLogP1.78
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.78
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 N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-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

4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
1-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 81006767
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
6-hydrazinyl-5-methyl-N-(2-methylbutyl)-2-propylpyrimidin-4-amine
CID 81006405
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
N-(3-cyclopentylpropyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106012944
6-hydrazinyl-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propylpyrimidin-4-amine
CID 113451063
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106043930
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 113458137
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine (CID 81000696) is N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine is CCCc1nc(NN)c(C)c(NCCN(CC)CC)n1.
What is the InChIKey of N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is TXBXAZIDIQVMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-5-8-12-17-13(11(4)14(18-12)19-15)16-9-10-20(6-2)7-3/h5-10,15H2,1-4H3,(H2,16,17,18,19).
What are the key properties of N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 280.42 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 81000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).