N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

C14H20N6 — CID 80932869

IUPACN-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1cc(NN)ncn1)c1ccccc1
InChIInChI=1S/C14H20N6/c1-20(12-6-3-2-4-7-12)9-5-8-16-13-10-14(19-15)18-11-17-13/h2-4,6-7,10-11H,5,8-9,15H2,1H3,(H2,16,17,18,19)
InChIKeyCXUBXCRASWNRTA-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.70
Rot. Bonds7

About N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine

N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 80932869) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID80932869
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1cc(NN)ncn1)c1ccccc1
InChIInChI=1S/C14H20N6/c1-20(12-6-3-2-4-7-12)9-5-8-16-13-10-14(19-15)18-11-17-13/h2-4,6-7,10-11H,5,8-9,15H2,1H3,(H2,16,17,18,19)
InChIKeyCXUBXCRASWNRTA-UHFFFAOYSA-N
XLogP1.70
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.70
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

6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
6-[3-(N-methylanilino)propylamino]pyridazine-3-carboxamide
CID 79006061
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 80932869) is N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is CN(CCCNc1cc(NN)ncn1)c1ccccc1.
What is the InChIKey of N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is CXUBXCRASWNRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-20(12-6-3-2-4-7-12)9-5-8-16-13-10-14(19-15)18-11-17-13/h2-4,6-7,10-11H,5,8-9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 80932869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).