4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol

C19H26N6O2 — CID 163253366

IUPAC4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
SMILESCOc1cc(Nc2cn(C)cn2)nc(NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C19H26N6O2/c1-25-9-15(20-10-25)21-14-5-16(27-2)23-18(22-14)24-17-12-3-11-4-13(17)8-19(26,6-11)7-12/h5,9-13,17,26H,3-4,6-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyHKNIWDBXPGHZSX-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.31
Rot. Bonds5

About 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol

4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol (PubChem CID 163253366) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
PubChem CID163253366
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
SMILESCOc1cc(Nc2cn(C)cn2)nc(NC2C3CC4CC2CC(O)(C4)C3)n1
InChIInChI=1S/C19H26N6O2/c1-25-9-15(20-10-25)21-14-5-16(27-2)23-18(22-14)24-17-12-3-11-4-13(17)8-19(26,6-11)7-12/h5,9-13,17,26H,3-4,6-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyHKNIWDBXPGHZSX-UHFFFAOYSA-N
XLogP2.31
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol with MolForge

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Related Compounds

4-[[4-[(1-methylimidazol-4-yl)amino]-1-pentan-3-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
CID 166928408
[1-hydroxy-4-[[4-(2-hydroxyethoxy)-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]-2-adamantyl] 2,2,2-trifluoroacetate
CID 163253379
methyl 2-[(5-hydroxy-2-adamantyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate
CID 163253410
tert-butyl 3-[[2-[(5-hydroxy-2-adamantyl)amino]-6-(oxetan-3-yloxy)pyrimidin-4-yl]amino]-5-methylpyrazole-1-carboxylate
CID 167026595
4-[[5-fluoro-4-methoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
CID 163253432
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]adamantan-1-ol
CID 166926169
4-[[5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(1,3-oxazolidin-2-yl)pyrimidin-2-yl]amino]adamantan-1-ol
CID 163253460
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(2-morpholin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928667
4-[5-fluoro-2-[(5-hydroxy-2-adamantyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]oxyoxolan-3-ol
CID 167026257
4-[[7-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928756
N-(2-bicyclo[2.2.1]heptanyl)-4,6-dimethoxypyrimidin-2-amine
CID 115355152
4-[[2-[3-(diethoxyphosphorylmethyl)anilino]pyrimidin-4-yl]amino]adamantan-1-ol
CID 88570553

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol (CID 163253366) is 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol is COc1cc(Nc2cn(C)cn2)nc(NC2C3CC4CC2CC(O)(C4)C3)n1.
What is the InChIKey of 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?
The InChIKey is HKNIWDBXPGHZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-25-9-15(20-10-25)21-14-5-16(27-2)23-18(22-14)24-17-12-3-11-4-13(17)8-19(26,6-11)7-12/h5,9-13,17,26H,3-4,6-8H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol?
4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol has a molecular weight of 370.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol is sourced from PubChem (CID 163253366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).