2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C12H14N6O — CID 136907053

IUPAC2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H14N6O/c1-7-6-10(11(13)17-19)15-12(14-7)18-5-4-9(16-18)8-2-3-8/h4-6,8,19H,2-3H2,1H3,(H2,13,17)
InChIKeyOVPKPPSMWWVJBB-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.94
Rot. Bonds3

About 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136907053) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136907053
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H14N6O/c1-7-6-10(11(13)17-19)15-12(14-7)18-5-4-9(16-18)8-2-3-8/h4-6,8,19H,2-3H2,1H3,(H2,13,17)
InChIKeyOVPKPPSMWWVJBB-UHFFFAOYSA-N
XLogP0.94
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799
N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136906945
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
CID 136906366
2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906910
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906821
1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
CID 57289097
[2-(3-cyclopropylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184637
6-methyl-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 82404538
6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80868641
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
2-(3-cyclopropylpyrazol-1-yl)-5-methylpyridin-3-amine
CID 66280658

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136907053) is 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is OVPKPPSMWWVJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-7-6-10(11(13)17-19)15-12(14-7)18-5-4-9(16-18)8-2-3-8/h4-6,8,19H,2-3H2,1H3,(H2,13,17).
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136907053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).