1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide

C12H20N6O — CID 114082473

IUPAC1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCc1cc(NN)nc(CN2CCC(C)(C(N)=O)C2)n1
InChIInChI=1S/C12H20N6O/c1-8-5-9(17-14)16-10(15-8)6-18-4-3-12(2,7-18)11(13)19/h5H,3-4,6-7,14H2,1-2H3,(H2,13,19)(H,15,16,17)
InChIKeyBAVDIUBAIYIEBN-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.23
Rot. Bonds4

About 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide

1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 114082473) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID114082473
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCc1cc(NN)nc(CN2CCC(C)(C(N)=O)C2)n1
InChIInChI=1S/C12H20N6O/c1-8-5-9(17-14)16-10(15-8)6-18-4-3-12(2,7-18)11(13)19/h5H,3-4,6-7,14H2,1-2H3,(H2,13,19)(H,15,16,17)
InChIKeyBAVDIUBAIYIEBN-UHFFFAOYSA-N
XLogP-0.23
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide (CID 114082473) is 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide is Cc1cc(NN)nc(CN2CCC(C)(C(N)=O)C2)n1.
What is the InChIKey of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is BAVDIUBAIYIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-8-5-9(17-14)16-10(15-8)6-18-4-3-12(2,7-18)11(13)19/h5H,3-4,6-7,14H2,1-2H3,(H2,13,19)(H,15,16,17).
What are the key properties of 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114082473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).