2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C20H27N3O4 — CID 97154853

IUPAC2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H27N3O4/c24-17(21-9-15-11-26-1-2-27-15)16-10-22-19(23-18(16)25)20-6-12-3-13(7-20)5-14(4-12)8-20/h10,12-15H,1-9,11H2,(H,21,24)(H,22,23,25)/t12?,13?,14?,15-,20?/m1/s1
InChIKeyJHKSSIKPJMDQIP-NSOUWEPUSA-N
MW373.45 g/mol
LogP1.38
Rot. Bonds4

About 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97154853) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97154853
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H27N3O4/c24-17(21-9-15-11-26-1-2-27-15)16-10-22-19(23-18(16)25)20-6-12-3-13(7-20)5-14(4-12)8-20/h10,12-15H,1-9,11H2,(H,21,24)(H,22,23,25)/t12?,13?,14?,15-,20?/m1/s1
InChIKeyJHKSSIKPJMDQIP-NSOUWEPUSA-N
XLogP1.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-N-[[(3R)-oxan-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97137685
2-(1-adamantyl)-6-oxo-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 97137563
2-(1-adamantyl)-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70768971
2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70785400
2-(1-adamantyl)-N-[(2S)-3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97117981
2-(1-adamantyl)-6-oxo-N-[(2R)-2-pyrrolidin-1-ylpropyl]-1H-pyrimidine-5-carboxamide
CID 97137006
2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97114525
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2H-triazole-4-carboxamide
CID 97054054
6-chloro-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide
CID 54908916
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97154853) is 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC[C@@H]1COCCO1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JHKSSIKPJMDQIP-NSOUWEPUSA-N. The full InChI is InChI=1S/C20H27N3O4/c24-17(21-9-15-11-26-1-2-27-15)16-10-22-19(23-18(16)25)20-6-12-3-13(7-20)5-14(4-12)8-20/h10,12-15H,1-9,11H2,(H,21,24)(H,22,23,25)/t12?,13?,14?,15-,20?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.38, 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-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97154853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).