6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine

C13H17N5 — CID 80894746

IUPAC6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
SMILESCCCc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C13H17N5/c1-2-3-10-4-6-11(7-5-10)17-12-8-13(18-14)16-9-15-12/h4-9H,2-3,14H2,1H3,(H2,15,16,17,18)
InChIKeyQQKRXSCYLWIBSH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.46
Rot. Bonds5

About 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine

6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine (PubChem CID 80894746) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
PubChem CID80894746
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
SMILESCCCc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C13H17N5/c1-2-3-10-4-6-11(7-5-10)17-12-8-13(18-14)16-9-15-12/h4-9H,2-3,14H2,1H3,(H2,15,16,17,18)
InChIKeyQQKRXSCYLWIBSH-UHFFFAOYSA-N
XLogP2.46
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
4-N-(6-propylpyrimidin-4-yl)benzene-1,4-diamine
CID 61240712
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
2-N-(4-propylphenyl)pyrazine-2,5-diamine
CID 80653384
N-(3,4-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80927394
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
4-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865429
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine (CID 80894746) is 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine is CCCc1ccc(Nc2cc(NN)ncn2)cc1.
What is the InChIKey of 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine?
The InChIKey is QQKRXSCYLWIBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-3-10-4-6-11(7-5-10)17-12-8-13(18-14)16-9-15-12/h4-9H,2-3,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine?
6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80894746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).