N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide

C18H25N3O2 — CID 122302713

IUPACN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide
SMILESCOc1nc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1
InChIInChI=1S/C18H25N3O2/c1-10-15(11(2)20-17(19-10)23-3)21-16(22)18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,4-9H2,1-3H3,(H,21,22)
InChIKeyHYFSLCPOPDUJAS-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide

N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide (PubChem CID 122302713) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide
PubChem CID122302713
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide
SMILESCOc1nc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1
InChIInChI=1S/C18H25N3O2/c1-10-15(11(2)20-17(19-10)23-3)21-16(22)18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,4-9H2,1-3H3,(H,21,22)
InChIKeyHYFSLCPOPDUJAS-UHFFFAOYSA-N
XLogP3.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide (CID 122302713) is N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide is COc1nc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1.
What is the InChIKey of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide?
The InChIKey is HYFSLCPOPDUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-10-15(11(2)20-17(19-10)23-3)21-16(22)18-7-12-4-13(8-18)6-14(5-12)9-18/h12-14H,4-9H2,1-3H3,(H,21,22).
What are the key properties of N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide?
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 122302713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).