N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide

C13H16N8O — CID 126698678

IUPACN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide
SMILES[H]/N=C(\C(=O)Nc1cc(C2CCC2)[nH]n1)c1c(N)ncnc1N
InChIInChI=1S/C13H16N8O/c14-10(9-11(15)17-5-18-12(9)16)13(22)19-8-4-7(20-21-8)6-2-1-3-6/h4-6,14H,1-3H2,(H4,15,16,17,18)(H2,19,20,21,22)/b14-10-
InChIKeyGWUOXILCNJHQLK-UVTDQMKNSA-N
MW300.33 g/mol
LogP0.64
Rot. Bonds4

About N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide

N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide (PubChem CID 126698678) has the molecular formula C13H16N8O and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide
PubChem CID126698678
Molecular FormulaC13H16N8O
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC NameN-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide
SMILES[H]/N=C(\C(=O)Nc1cc(C2CCC2)[nH]n1)c1c(N)ncnc1N
InChIInChI=1S/C13H16N8O/c14-10(9-11(15)17-5-18-12(9)16)13(22)19-8-4-7(20-21-8)6-2-1-3-6/h4-6,14H,1-3H2,(H4,15,16,17,18)(H2,19,20,21,22)/b14-10-
InChIKeyGWUOXILCNJHQLK-UVTDQMKNSA-N
XLogP0.64
TPSA159.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 50.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide?
The IUPAC name of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide (CID 126698678) is N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide.
What is the SMILES notation for N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide?
The canonical SMILES for N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide is [H]/N=C(\C(=O)Nc1cc(C2CCC2)[nH]n1)c1c(N)ncnc1N.
What is the InChIKey of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide?
The InChIKey is GWUOXILCNJHQLK-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H16N8O/c14-10(9-11(15)17-5-18-12(9)16)13(22)19-8-4-7(20-21-8)6-2-1-3-6/h4-6,14H,1-3H2,(H4,15,16,17,18)(H2,19,20,21,22)/b14-10-.
What are the key properties of N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide?
N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide has a molecular weight of 300.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4,6-diaminopyrimidin-5-yl)-2-iminoacetamide is sourced from PubChem (CID 126698678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).