6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine

C10H20N6O — CID 82946500

IUPAC6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
SMILESCCCOCCCNc1cc(NN)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-2-5-17-6-3-4-13-8-7-9(16-12)15-10(11)14-8/h7H,2-6,12H2,1H3,(H4,11,13,14,15,16)
InChIKeyBFTJOJPQUPLIKH-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.57
Rot. Bonds8

About 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine (PubChem CID 82946500) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
PubChem CID82946500
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
SMILESCCCOCCCNc1cc(NN)nc(N)n1
InChIInChI=1S/C10H20N6O/c1-2-5-17-6-3-4-13-8-7-9(16-12)15-10(11)14-8/h7H,2-6,12H2,1H3,(H4,11,13,14,15,16)
InChIKeyBFTJOJPQUPLIKH-UHFFFAOYSA-N
XLogP0.57
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-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

2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82947715
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
CID 80903582
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855025
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
N-(3-ethoxypropyl)-6-hydrazinylpyrimidin-4-amine
CID 80944066
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
2-[2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825945
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine (CID 82946500) is 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine is CCCOCCCNc1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is BFTJOJPQUPLIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-2-5-17-6-3-4-13-8-7-9(16-12)15-10(11)14-8/h7H,2-6,12H2,1H3,(H4,11,13,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 82946500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).