2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C21H25N5O2 — CID 70768971

IUPAC2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cnc(CNC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)cn1
InChIInChI=1S/C21H25N5O2/c1-12-8-23-16(9-22-12)10-24-18(27)17-11-25-20(26-19(17)28)21-5-13-2-14(6-21)4-15(3-13)7-21/h8-9,11,13-15H,2-7,10H2,1H3,(H,24,27)(H,25,26,28)
InChIKeySVNXICDHNYJUMW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.27
Rot. Bonds4

About 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70768971) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70768971
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1cnc(CNC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)cn1
InChIInChI=1S/C21H25N5O2/c1-12-8-23-16(9-22-12)10-24-18(27)17-11-25-20(26-19(17)28)21-5-13-2-14(6-21)4-15(3-13)7-21/h8-9,11,13-15H,2-7,10H2,1H3,(H,24,27)(H,25,26,28)
InChIKeySVNXICDHNYJUMW-UHFFFAOYSA-N
XLogP2.27
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70768971) is 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1cnc(CNC(=O)c2cnc(C34CC5CC(CC(C5)C3)C4)[nH]c2=O)cn1.
What is the InChIKey of 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SVNXICDHNYJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12-8-23-16(9-22-12)10-24-18(27)17-11-25-20(26-19(17)28)21-5-13-2-14(6-21)4-15(3-13)7-21/h8-9,11,13-15H,2-7,10H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70768971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).