2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C20H28N4O3 — CID 97114525

IUPAC2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H28N4O3/c1-3-21-16(25)11(2)23-17(26)15-10-22-19(24-18(15)27)20-7-12-4-13(8-20)6-14(5-12)9-20/h10-14H,3-9H2,1-2H3,(H,21,25)(H,23,26)(H,22,24,27)/t11-,12?,13?,14?,20?/m1/s1
InChIKeyKOJWMSAFWSJTTM-JIEKGTPASA-N
MW372.47 g/mol
LogP1.49
Rot. Bonds5

About 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97114525) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97114525
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H28N4O3/c1-3-21-16(25)11(2)23-17(26)15-10-22-19(24-18(15)27)20-7-12-4-13(8-20)6-14(5-12)9-20/h10-14H,3-9H2,1-2H3,(H,21,25)(H,23,26)(H,22,24,27)/t11-,12?,13?,14?,20?/m1/s1
InChIKeyKOJWMSAFWSJTTM-JIEKGTPASA-N
XLogP1.49
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

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-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 70723584
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-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97154853
2-(1-adamantyl)-6-oxo-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 97137563
2-(1-adamantyl)-N-[[(3R)-oxan-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97137685
2-(1-adamantyl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70725360
2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 134067488
2-(1-adamantyl)-N-methyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70728291
2-(1-adamantyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147794

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97114525) is 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide is CCNC(=O)[C@@H](C)NC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KOJWMSAFWSJTTM-JIEKGTPASA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-21-16(25)11(2)23-17(26)15-10-22-19(24-18(15)27)20-7-12-4-13(8-20)6-14(5-12)9-20/h10-14H,3-9H2,1-2H3,(H,21,25)(H,23,26)(H,22,24,27)/t11-,12?,13?,14?,20?/m1/s1.
What are the key properties of 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97114525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).