2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

C11H17N7 — CID 80937217

IUPAC2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H17N7/c1-3-9-15-10(4-11(16-9)17-12)13-5-8-6-14-18(2)7-8/h4,6-7H,3,5,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyPGCYXVKCYVNWFP-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.67
Rot. Bonds5

About 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine

2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80937217) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID80937217
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCc2cnn(C)c2)n1
InChIInChI=1S/C11H17N7/c1-3-9-15-10(4-11(16-9)17-12)13-5-8-6-14-18(2)7-8/h4,6-7H,3,5,12H2,1-2H3,(H2,13,15,16,17)
InChIKeyPGCYXVKCYVNWFP-UHFFFAOYSA-N
XLogP0.67
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409
[2-ethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116794584
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[(2-pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 71272463
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80939549
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
6-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80816894
6-hydrazinyl-2,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80908447
2-ethyl-N-(furan-2-ylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80937643
6-hydrazinyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720907

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 80937217) is 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is CCc1nc(NN)cc(NCc2cnn(C)c2)n1.
What is the InChIKey of 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is PGCYXVKCYVNWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-3-9-15-10(4-11(16-9)17-12)13-5-8-6-14-18(2)7-8/h4,6-7H,3,5,12H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 247.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80937217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).