N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide

C17H23N3O — CID 39963727

IUPACN-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H23N3O/c1-10-3-11(2)19-16(18-10)20-15(21)17-7-12-4-13(8-17)6-14(5-12)9-17/h3,12-14H,4-9H2,1-2H3,(H,18,19,20,21)
InChIKeyZWUKILGRJSFDTN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide (PubChem CID 39963727) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide
PubChem CID39963727
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide
SMILESCc1cc(C)nc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C17H23N3O/c1-10-3-11(2)19-16(18-10)20-15(21)17-7-12-4-13(8-17)6-14(5-12)9-17/h3,12-14H,4-9H2,1-2H3,(H,18,19,20,21)
InChIKeyZWUKILGRJSFDTN-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide (CID 39963727) is N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide is Cc1cc(C)nc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide?
The InChIKey is ZWUKILGRJSFDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-3-11(2)19-16(18-10)20-15(21)17-7-12-4-13(8-17)6-14(5-12)9-17/h3,12-14H,4-9H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 39963727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).