N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide

C12H18N6O — CID 114220570

IUPACN-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(C)nc(NN)n1
InChIInChI=1S/C12H18N6O/c1-4-18(7-8(2)6-13)11(19)10-5-9(3)15-12(16-10)17-14/h5,8H,4,7,14H2,1-3H3,(H,15,16,17)
InChIKeyKXPRXJUXGWCKET-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.69
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide

N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide (PubChem CID 114220570) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide
PubChem CID114220570
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(C)nc(NN)n1
InChIInChI=1S/C12H18N6O/c1-4-18(7-8(2)6-13)11(19)10-5-9(3)15-12(16-10)17-14/h5,8H,4,7,14H2,1-3H3,(H,15,16,17)
InChIKeyKXPRXJUXGWCKET-UHFFFAOYSA-N
XLogP0.69
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,N-diethyl-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320864
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
6-[2-cyanopropyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54979268
N-(2-cyanopropyl)-N-ethyl-3-hydrazinyl-4-nitrobenzamide
CID 62680537
N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63861022
N-(2-cyanopropyl)-N-ethyl-3-methyl-4-(methylamino)benzamide
CID 63213768
2-hydrazinyl-N-[2-(2-hydroxyethoxy)ethyl]-N,6-dimethylpyrimidine-4-carboxamide
CID 114243633
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 114193919

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide (CID 114220570) is N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide is CCN(CC(C)C#N)C(=O)c1cc(C)nc(NN)n1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is KXPRXJUXGWCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-18(7-8(2)6-13)11(19)10-5-9(3)15-12(16-10)17-14/h5,8H,4,7,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide?
N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-hydrazinyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114220570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).