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

C12H14N6 — CID 107550799

IUPAC2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H14N6/c1-7-6-10(11(13)14)16-12(15-7)18-5-4-9(17-18)8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,13,14)
InChIKeyDGSSYZXBAQRWIG-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.13
Rot. Bonds3

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

2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550799) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550799
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H14N6/c1-7-6-10(11(13)14)16-12(15-7)18-5-4-9(17-18)8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,13,14)
InChIKeyDGSSYZXBAQRWIG-UHFFFAOYSA-N
XLogP1.13
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.13
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'}

Analyze 2-(3-cyclopropylpyrazol-1-yl)-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)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907053
4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 62488655
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
2-imidazol-1-yl-6-methylpyrimidine-4-carboximidamide
CID 107550765
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
6-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboximidamide
CID 107550721
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide (CID 107550799) is 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is DGSSYZXBAQRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-7-6-10(11(13)14)16-12(15-7)18-5-4-9(17-18)8-2-3-8/h4-6,8H,2-3H2,1H3,(H3,13,14).
What are the key properties of 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide?
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 242.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).