N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide

C18H25N3O2 — CID 121121228

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cncn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1=O
InChIInChI=1S/C18H25N3O2/c1-12-10-19-11-21(16(12)22)3-2-20-17(23)18-7-13-4-14(8-18)6-15(5-13)9-18/h10-11,13-15H,2-9H2,1H3,(H,20,23)
InChIKeyPNLMBPGTUOCSPV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide (PubChem CID 121121228) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide
PubChem CID121121228
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide
SMILESCc1cncn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1=O
InChIInChI=1S/C18H25N3O2/c1-12-10-19-11-21(16(12)22)3-2-20-17(23)18-7-13-4-14(8-18)6-15(5-13)9-18/h10-11,13-15H,2-9H2,1H3,(H,20,23)
InChIKeyPNLMBPGTUOCSPV-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide (CID 121121228) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide is Cc1cncn(CCNC(=O)C23CC4CC(CC(C4)C2)C3)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is PNLMBPGTUOCSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-10-19-11-21(16(12)22)3-2-20-17(23)18-7-13-4-14(8-18)6-15(5-13)9-18/h10-11,13-15H,2-9H2,1H3,(H,20,23).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 121121228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).