2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C14H17N5OS — CID 136906520

IUPAC2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H17N5OS/c1-9-6-12(13(15)18-20)17-14(16-9)19(11-2-3-11)7-10-4-5-21-8-10/h4-6,8,11,20H,2-3,7H2,1H3,(H2,15,18)
InChIKeyOEERVKCZUQYBKX-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.11
Rot. Bonds5

About 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906520) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136906520
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H17N5OS/c1-9-6-12(13(15)18-20)17-14(16-9)19(11-2-3-11)7-10-4-5-21-8-10/h4-6,8,11,20H,2-3,7H2,1H3,(H2,15,18)
InChIKeyOEERVKCZUQYBKX-UHFFFAOYSA-N
XLogP2.11
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.11
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'}

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Related Compounds

2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906555
5-chloro-2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76944740
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
3-[cyclopropyl-(4,6-dimethylpyrimidin-2-yl)amino]-N'-hydroxypropanimidamide
CID 54997535
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 83185445
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
methyl 5-amino-6-[cyclopropyl(thiophen-3-ylmethyl)amino]pyridine-2-carboxylate
CID 114405715

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136906520) is 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is OEERVKCZUQYBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-9-6-12(13(15)18-20)17-14(16-9)19(11-2-3-11)7-10-4-5-21-8-10/h4-6,8,11,20H,2-3,7H2,1H3,(H2,15,18).
What are the key properties of 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 303.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).