5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

C16H23N5 — CID 80900314

IUPAC5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)CCc1ccccc1
InChIInChI=1S/C16H23N5/c1-3-14-15(18-11-19-16(14)21-17)20-12(2)9-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyCGNZJBMHIJVELS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.76
Rot. Bonds7

About 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine (PubChem CID 80900314) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
PubChem CID80900314
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)CCc1ccccc1
InChIInChI=1S/C16H23N5/c1-3-14-15(18-11-19-16(14)21-17)20-12(2)9-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyCGNZJBMHIJVELS-UHFFFAOYSA-N
XLogP2.76
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.76
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

6-chloro-5-ethyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 63729500
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80907050
2-N-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949550
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
N-(4-phenylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 60701821
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897613
3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904538
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
4-phenylbutan-2-ylhydrazine
CID 28622
5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80897021

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine (CID 80900314) is 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine is CCc1c(NN)ncnc1NC(C)CCc1ccccc1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
The InChIKey is CGNZJBMHIJVELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-14-15(18-11-19-16(14)21-17)20-12(2)9-10-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-(4-phenylbutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 80900314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).