5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C13H19N7O — CID 65236423

IUPAC5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(NN)c(C(=O)NCCc2cnc[nH]2)n1
InChIInChI=1S/C13H19N7O/c1-8(2)12-17-6-10(20-14)11(19-12)13(21)16-4-3-9-5-15-7-18-9/h5-8,20H,3-4,14H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyQAAKJRQIFNBEJN-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds6

About 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 65236423) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID65236423
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(NN)c(C(=O)NCCc2cnc[nH]2)n1
InChIInChI=1S/C13H19N7O/c1-8(2)12-17-6-10(20-14)11(19-12)13(21)16-4-3-9-5-15-7-18-9/h5-8,20H,3-4,14H2,1-2H3,(H,15,18)(H,16,21)
InChIKeyQAAKJRQIFNBEJN-UHFFFAOYSA-N
XLogP0.58
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
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

N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62236900
5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 113488256
N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62241398
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-6-methylpyridine-4-carboxamide
CID 113379256
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 65236308
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 23404169
2-carbamothioyl-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
CID 65231137
5-hydrazinyl-N-methyl-N-pentyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62242106
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 65236423) is 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(NN)c(C(=O)NCCc2cnc[nH]2)n1.
What is the InChIKey of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is QAAKJRQIFNBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-8(2)12-17-6-10(20-14)11(19-12)13(21)16-4-3-9-5-15-7-18-9/h5-8,20H,3-4,14H2,1-2H3,(H,15,18)(H,16,21).
What are the key properties of 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 65236423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).