N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide

C13H20N4O — CID 122356271

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)C1CCC1
InChIInChI=1S/C13H20N4O/c1-8-11(16-12(18)10-6-5-7-10)9(2)15-13(14-8)17(3)4/h10H,5-7H2,1-4H3,(H,16,18)
InChIKeyGPAXUTKUTFSYET-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds3

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide (PubChem CID 122356271) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide
PubChem CID122356271
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)C1CCC1
InChIInChI=1S/C13H20N4O/c1-8-11(16-12(18)10-6-5-7-10)9(2)15-13(14-8)17(3)4/h10H,5-7H2,1-4H3,(H,16,18)
InChIKeyGPAXUTKUTFSYET-UHFFFAOYSA-N
XLogP1.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide (CID 122356271) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide is Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCC1.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide?
The InChIKey is GPAXUTKUTFSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-11(16-12(18)10-6-5-7-10)9(2)15-13(14-8)17(3)4/h10H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 122356271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).