N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide

C13H22N6O2 — CID 62241327

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C13H22N6O2/c1-5-15-12(20)8(4)17-13(21)10-9(19-14)6-16-11(18-10)7(2)3/h6-8,19H,5,14H2,1-4H3,(H,15,20)(H,17,21)
InChIKeyZNEWWXCOFRDYGF-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.14
Rot. Bonds6

About N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62241327) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62241327
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNC(=O)C(C)NC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C13H22N6O2/c1-5-15-12(20)8(4)17-13(21)10-9(19-14)6-16-11(18-10)7(2)3/h6-8,19H,5,14H2,1-4H3,(H,15,20)(H,17,21)
InChIKeyZNEWWXCOFRDYGF-UHFFFAOYSA-N
XLogP0.14
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.14
H-Bond Donors ≤ 54
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

5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023
N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62241398
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62236900
5-hydrazinyl-N-(5-methylhexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 115327342
N-[2-(dimethylamino)-2-methylpropyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62243518
5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 113488256
N-ethyl-5-hydrazinyl-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62237150
5-hydrazinyl-N-methyl-N-pentyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62242106
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62180898
N-(2,2-dimethylpropyl)-5-hydrazinyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62243662
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 65236423

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62241327) is N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide is CCNC(=O)C(C)NC(=O)c1nc(C(C)C)ncc1NN.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ZNEWWXCOFRDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-5-15-12(20)8(4)17-13(21)10-9(19-14)6-16-11(18-10)7(2)3/h6-8,19H,5,14H2,1-4H3,(H,15,20)(H,17,21).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62241327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).