N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide

C21H27N5O2 — CID 135753044

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C21H27N5O2/c1-3-16-8-18(27)24-20(22-16)26-17(4-12(2)25-26)23-19(28)21-9-13-5-14(10-21)7-15(6-13)11-21/h4,8,13-15H,3,5-7,9-11H2,1-2H3,(H,23,28)(H,22,24,27)
InChIKeyRGYDHGLPOHCLCS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide (PubChem CID 135753044) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide
PubChem CID135753044
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C21H27N5O2/c1-3-16-8-18(27)24-20(22-16)26-17(4-12(2)25-26)23-19(28)21-9-13-5-14(10-21)7-15(6-13)11-21/h4,8,13-15H,3,5-7,9-11H2,1-2H3,(H,23,28)(H,22,24,27)
InChIKeyRGYDHGLPOHCLCS-UHFFFAOYSA-N
XLogP2.98
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]cyclohexanecarboxamide
CID 135551798
2-cyclohexyl-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551800
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1H-pyrazol-5-yl)-3-methylbutanamide
CID 136253212
N-(3-cyclopropyl-1-(4-oxo-3,4,5,6,7,8-hexahydroqui
CID 136253213
N-(5-methyl-1H-pyrazol-3-yl)adamantane-1-carboxamide
CID 3921645
(3r,5r,7r)-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)adamantane-1-carboxamide
CID 135753194
4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 169018027
2-[5-(2-cyclohexylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018048
2-[5-(1-adamantylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018053
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752898
N1-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)-N2-(3,3,5-trimethylcyclohexyl)oxalamide
CID 135954204
2-[3-(2-cyclohexylethylamino)-5-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 178302181

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide (CID 135753044) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide?
The InChIKey is RGYDHGLPOHCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-16-8-18(27)24-20(22-16)26-17(4-12(2)25-26)23-19(28)21-9-13-5-14(10-21)7-15(6-13)11-21/h4,8,13-15H,3,5-7,9-11H2,1-2H3,(H,23,28)(H,22,24,27).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 135753044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).