2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide

C21H32N4O2 — CID 70721509

IUPAC2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)CN(C)C
InChIInChI=1S/C21H32N4O2/c1-13(12-25(2)3)10-22-18(26)17-11-23-20(24-19(17)27)21-7-14-4-15(8-21)6-16(5-14)9-21/h11,13-16H,4-10,12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyFWJJRIJMRIIPPR-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.17
Rot. Bonds6

About 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70721509) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70721509
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)CN(C)C
InChIInChI=1S/C21H32N4O2/c1-13(12-25(2)3)10-22-18(26)17-11-23-20(24-19(17)27)21-7-14-4-15(8-21)6-16(5-14)9-21/h11,13-16H,4-10,12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyFWJJRIJMRIIPPR-UHFFFAOYSA-N
XLogP2.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70721509) is 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC(CNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O)CN(C)C.
What is the InChIKey of 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FWJJRIJMRIIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-13(12-25(2)3)10-22-18(26)17-11-23-20(24-19(17)27)21-7-14-4-15(8-21)6-16(5-14)9-21/h11,13-16H,4-10,12H2,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70721509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).