2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide

C20H28N4O3 — CID 140541502

IUPAC2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide
SMILESCN(c1ncc(C(N)=O)c([C@@H]2CCCO2)n1)C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H28N4O3/c1-24(17-12-5-11-6-13(17)9-20(26,7-11)8-12)19-22-10-14(18(21)25)16(23-19)15-3-2-4-27-15/h10-13,15,17,26H,2-9H2,1H3,(H2,21,25)/t11?,12?,13?,15-,17?,20?/m0/s1
InChIKeyQSOQASOVFWUQIG-JYLFYUPZSA-N
MW372.47 g/mol
LogP1.80
Rot. Bonds4

About 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide

2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide (PubChem CID 140541502) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide
PubChem CID140541502
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide
SMILESCN(c1ncc(C(N)=O)c([C@@H]2CCCO2)n1)C1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H28N4O3/c1-24(17-12-5-11-6-13(17)9-20(26,7-11)8-12)19-22-10-14(18(21)25)16(23-19)15-3-2-4-27-15/h10-13,15,17,26H,2-9H2,1H3,(H2,21,25)/t11?,12?,13?,15-,17?,20?/m0/s1
InChIKeyQSOQASOVFWUQIG-JYLFYUPZSA-N
XLogP1.80
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide
CID 140541492
4-cyclobutyl-2-[(5-hydroxy-2-adamantyl)-(2-hydroxyethyl)amino]pyrimidine-5-carboxamide
CID 140541457
4-cyclopentyl-2-[(5-hydroxy-2-adamantyl)-(2-hydroxyethyl)amino]pyrimidine-5-carboxamide
CID 140541505
N'-cyclopropyl-N-(5-hydroxy-2-adamantyl)-4-[(2R)-oxolan-2-yl]pyrimidine-5-carbohydrazide
CID 140541459
4-(5-hydroxy-2-adamantyl)-2-methylsulfonyl-6-[(2R)-oxolan-2-yl]pyrimidine-5-carboxamide
CID 68994620
4-cyclopentyl-N-(5-hydroxy-2-adamantyl)-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 58230428
6-[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]-4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]pyridine-3-carboxamide
CID 67371262
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
adamantan-1-ol;4-(2,2-dimethylpropyl)-2-methylpyrimidine-5-carboxamide
CID 143881495
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl] 2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxylate
CID 98853956
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide (CID 140541502) is 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide is CN(c1ncc(C(N)=O)c([C@@H]2CCCO2)n1)C1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is QSOQASOVFWUQIG-JYLFYUPZSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-24(17-12-5-11-6-13(17)9-20(26,7-11)8-12)19-22-10-14(18(21)25)16(23-19)15-3-2-4-27-15/h10-13,15,17,26H,2-9H2,1H3,(H2,21,25)/t11?,12?,13?,15-,17?,20?/m0/s1.
What are the key properties of 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide?
2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2-adamantyl)-methylamino]-4-[(2S)-oxolan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 140541502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).