N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C14H26N6 — CID 80968725

IUPACN-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C14H26N6/c1-3-20(4-2)9-5-8-16-12-10-13(19-15)18-14(17-12)11-6-7-11/h10-11H,3-9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPAJYIWMZEIVGTL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.78
Rot. Bonds9

About N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 80968725) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID80968725
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC NameN-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C14H26N6/c1-3-20(4-2)9-5-8-16-12-10-13(19-15)18-14(17-12)11-6-7-11/h10-11H,3-9,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPAJYIWMZEIVGTL-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 ≤ 500278.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80964019
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
3-[2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118304
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 80968725) is N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is PAJYIWMZEIVGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-3-20(4-2)9-5-8-16-12-10-13(19-15)18-14(17-12)11-6-7-11/h10-11H,3-9,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 278.40 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-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 80968725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).