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

C20H28N4O3 — CID 70715951

IUPAC2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)C(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)
InChIKeyKOJWMSAFWSJTTM-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.49
Rot. Bonds5

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

2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70715951) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70715951
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)C(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)
InChIKeyKOJWMSAFWSJTTM-UHFFFAOYSA-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

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Related Compounds

2-(1-Adamantyl)-5-{[4-(methylamino)piperidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72876418
2-(1-Adamantyl)-5-{[3-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72882106
2-(1-adamantyl)-5-{[(3S)-3-aminopiperidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72900149
2-(1-adamantyl)-4-hydroxy-N-methyl-N-propylpyrimidine-5-carboxamide
CID 70723584
2-(1-adamantyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 168452201
5-{[4-(1-adamantyl)-1-piperazinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 56902658
2-(1-adamantyl)-N-cyclopropyl-4-hydroxy-N-isobutylpyrimidine-5-carboxamide
CID 70704541
2-(1-adamantyl)-N,N-diethyl-4-hydroxypyrimidine-5-carboxamide
CID 70709004
2-(1-Adamantyl)-5-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrimidin-4-ol
CID 70716489
2-(1-Adamantyl)-5-(azepan-1-ylcarbonyl)pyrimidin-4-ol
CID 70716648
2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-4-hydroxypyrimidine-5-carboxamide
CID 70717851
2-(1-adamantyl)-N-[3-(dimethylamino)-2-methylpropyl]-4-hydroxypyrimidine-5-carboxamide
CID 70721509

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70715951) is 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide is CCNC(=O)C(C)NC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KOJWMSAFWSJTTM-UHFFFAOYSA-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).
What are the key properties of 2-(1-adamantyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-[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-[1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70715951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).