N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide

C12H17N5O2 — CID 102922552

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
SMILESNC(CN(C(=O)c1cncnc1)C1CCCC1)=NO
InChIInChI=1S/C12H17N5O2/c13-11(16-19)7-17(10-3-1-2-4-10)12(18)9-5-14-8-15-6-9/h5-6,8,10,19H,1-4,7H2,(H2,13,16)
InChIKeySDNRCLJWOZSYFH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.61
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide (PubChem CID 102922552) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
PubChem CID102922552
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide
SMILESNC(CN(C(=O)c1cncnc1)C1CCCC1)=NO
InChIInChI=1S/C12H17N5O2/c13-11(16-19)7-17(10-3-1-2-4-10)12(18)9-5-14-8-15-6-9/h5-6,8,10,19H,1-4,7H2,(H2,13,16)
InChIKeySDNRCLJWOZSYFH-UHFFFAOYSA-N
XLogP0.61
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653
N-(2-chloroethyl)-N-cyclohexylpyrimidine-5-carboxamide
CID 102922692
N-(2-bromoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922719
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107974303
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylcyclooctanecarboxamide
CID 77052784
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide (CID 102922552) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide is NC(CN(C(=O)c1cncnc1)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide?
The InChIKey is SDNRCLJWOZSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-11(16-19)7-17(10-3-1-2-4-10)12(18)9-5-14-8-15-6-9/h5-6,8,10,19H,1-4,7H2,(H2,13,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentylpyrimidine-5-carboxamide is sourced from PubChem (CID 102922552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).