5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide

C13H23N5OS — CID 113488256

IUPAC5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCSCCCCNC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C13H23N5OS/c1-9(2)12-16-8-10(18-14)11(17-12)13(19)15-6-4-5-7-20-3/h8-9,18H,4-7,14H2,1-3H3,(H,15,19)
InChIKeyPGRVNAQJPZLVCX-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.76
Rot. Bonds8

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

5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 113488256) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID113488256
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCSCCCCNC(=O)c1nc(C(C)C)ncc1NN
InChIInChI=1S/C13H23N5OS/c1-9(2)12-16-8-10(18-14)11(17-12)13(19)15-6-4-5-7-20-3/h8-9,18H,4-7,14H2,1-3H3,(H,15,19)
InChIKeyPGRVNAQJPZLVCX-UHFFFAOYSA-N
XLogP1.76
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
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
N-(4-amino-4-oxobutyl)-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62236900
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 65236423
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-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
5-hydrazinyl-N-pentan-2-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62233583
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-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide
CID 107378653

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 113488256) is 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide is CSCCCCNC(=O)c1nc(C(C)C)ncc1NN.
What is the InChIKey of 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is PGRVNAQJPZLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-9(2)12-16-8-10(18-14)11(17-12)13(19)15-6-4-5-7-20-3/h8-9,18H,4-7,14H2,1-3H3,(H,15,19).
What are the key properties of 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(4-methylsulfanylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 113488256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).