N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide

C12H20N6O2 — CID 62236900

IUPACN-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(NN)c(C(=O)NCCCC(N)=O)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)11-16-6-8(18-14)10(17-11)12(20)15-5-3-4-9(13)19/h6-7,18H,3-5,14H2,1-2H3,(H2,13,19)(H,15,20)
InChIKeyFTNAPXADRNOYIB-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.12
Rot. Bonds7

About N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide

N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62236900) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62236900
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(NN)c(C(=O)NCCCC(N)=O)n1
InChIInChI=1S/C12H20N6O2/c1-7(2)11-16-6-8(18-14)10(17-11)12(20)15-5-3-4-9(13)19/h6-7,18H,3-5,14H2,1-2H3,(H2,13,19)(H,15,20)
InChIKeyFTNAPXADRNOYIB-UHFFFAOYSA-N
XLogP-0.12
TPSA136.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-hydrazinyl-N-(5-methylhexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 115327342
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
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 65236423
N-[2-(dimethylamino)-2-methylpropyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62243518
N-[1-(ethylamino)-1-oxopropan-2-yl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62241327
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
CID 62179987
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-hydrazinyl-N-methyl-N-pentyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62242106
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62236900) is N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(NN)c(C(=O)NCCCC(N)=O)n1.
What is the InChIKey of N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is FTNAPXADRNOYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-7(2)11-16-6-8(18-14)10(17-11)12(20)15-5-3-4-9(13)19/h6-7,18H,3-5,14H2,1-2H3,(H2,13,19)(H,15,20).
What are the key properties of N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide?
N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of -0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62236900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).