4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine

C11H23N7 — CID 80942866

IUPAC4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1cc(NN)nc(N)n1
InChIInChI=1S/C11H23N7/c1-3-18(4-2)7-5-6-14-9-8-10(17-13)16-11(12)15-9/h8H,3-7,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyJLJBBDXGWXVPBE-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.49
Rot. Bonds8

About 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80942866) has the molecular formula C11H23N7 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80942866
Molecular FormulaC11H23N7
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCNc1cc(NN)nc(N)n1
InChIInChI=1S/C11H23N7/c1-3-18(4-2)7-5-6-14-9-8-10(17-13)16-11(12)15-9/h8H,3-7,13H2,1-2H3,(H4,12,14,15,16,17)
InChIKeyJLJBBDXGWXVPBE-UHFFFAOYSA-N
XLogP0.49
TPSA105.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.49
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'}

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Related Compounds

4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940
6-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855025
6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
N-(6-hydrazinyl-2-propylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043629
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80942866) is 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine is CCN(CC)CCCNc1cc(NN)nc(N)n1.
What is the InChIKey of 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is JLJBBDXGWXVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7/c1-3-18(4-2)7-5-6-14-9-8-10(17-13)16-11(12)15-9/h8H,3-7,13H2,1-2H3,(H4,12,14,15,16,17).
What are the key properties of 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 253.35 g/mol, XLogP of 0.49, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80942866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).