[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide

C10H14N4O — CID 19841607

IUPAC[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide
SMILESCc1cc(OCC(C)C)nc(NC#N)n1
InChIInChI=1S/C10H14N4O/c1-7(2)5-15-9-4-8(3)13-10(14-9)12-6-11/h4,7H,5H2,1-3H3,(H,12,13,14)
InChIKeyBWHQGGQFOAHQEU-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.71
Rot. Bonds4

About [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide

[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide (PubChem CID 19841607) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide
PubChem CID19841607
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide
SMILESCc1cc(OCC(C)C)nc(NC#N)n1
InChIInChI=1S/C10H14N4O/c1-7(2)5-15-9-4-8(3)13-10(14-9)12-6-11/h4,7H,5H2,1-3H3,(H,12,13,14)
InChIKeyBWHQGGQFOAHQEU-UHFFFAOYSA-N
XLogP1.71
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide?
The IUPAC name of [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide (CID 19841607) is [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide?
The canonical SMILES for [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide is Cc1cc(OCC(C)C)nc(NC#N)n1.
What is the InChIKey of [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide?
The InChIKey is BWHQGGQFOAHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(2)5-15-9-4-8(3)13-10(14-9)12-6-11/h4,7H,5H2,1-3H3,(H,12,13,14).
What are the key properties of [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide?
[4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide has a molecular weight of 206.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(2-methylpropoxy)pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 19841607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).