2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide

C13H20N4O — CID 112755848

IUPAC2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)nc1OC1CCCC(C)C1
InChIInChI=1S/C13H20N4O/c1-8-4-3-5-10(6-8)18-13-11(12(14)15)7-16-9(2)17-13/h7-8,10H,3-6H2,1-2H3,(H3,14,15)
InChIKeyCKDLSECPDWEWJD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide

2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide (PubChem CID 112755848) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide.

Molecular Properties

Compound Name2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
PubChem CID112755848
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)nc1OC1CCCC(C)C1
InChIInChI=1S/C13H20N4O/c1-8-4-3-5-10(6-8)18-13-11(12(14)15)7-16-9(2)17-13/h7-8,10H,3-6H2,1-2H3,(H3,14,15)
InChIKeyCKDLSECPDWEWJD-UHFFFAOYSA-N
XLogP2.03
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide?
The IUPAC name of 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide (CID 112755848) is 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide.
What is the SMILES notation for 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide?
The canonical SMILES for 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(C)nc1OC1CCCC(C)C1.
What is the InChIKey of 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide?
The InChIKey is CKDLSECPDWEWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-4-3-5-10(6-8)18-13-11(12(14)15)7-16-9(2)17-13/h7-8,10H,3-6H2,1-2H3,(H3,14,15).
What are the key properties of 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide?
2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide is sourced from PubChem (CID 112755848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).