4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol

C20H25N7O — CID 166926165

IUPAC4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol
SMILESCc1cc(Nc2nc(NC3C4CC5CC3CC(O)(C5)C4)nc3cc[nH]c23)n[nH]1
InChIInChI=1S/C20H25N7O/c1-10-4-15(27-26-10)23-18-17-14(2-3-21-17)22-19(25-18)24-16-12-5-11-6-13(16)9-20(28,7-11)8-12/h2-4,11-13,16,21,28H,5-9H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyBWFZNTBOZBISTB-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.08
Rot. Bonds4

About 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol

4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol (PubChem CID 166926165) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol
PubChem CID166926165
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol
SMILESCc1cc(Nc2nc(NC3C4CC5CC3CC(O)(C5)C4)nc3cc[nH]c23)n[nH]1
InChIInChI=1S/C20H25N7O/c1-10-4-15(27-26-10)23-18-17-14(2-3-21-17)22-19(25-18)24-16-12-5-11-6-13(16)9-20(28,7-11)8-12/h2-4,11-13,16,21,28H,5-9H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyBWFZNTBOZBISTB-UHFFFAOYSA-N
XLogP3.08
TPSA114.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol with MolForge

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Related Compounds

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-[5-fluoro-2-[(5-hydroxy-2-adamantyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]oxyoxolan-3-ol
CID 167026257
methyl 2-[(5-hydroxy-2-adamantyl)amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxylate
CID 163253410
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-[[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
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]adamantan-1-ol
CID 166928671
4-[2-(hydroxymethyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[4,5-b]pyridin-3-yl]adamantan-1-ol
CID 175206591
4-[[5-methyl-2-(3-pyrimidin-2-yloxyanilino)pyrimidin-4-yl]amino]adamantan-1-ol
CID 123142363
4-[[4-methoxy-6-[(1-methylimidazol-4-yl)amino]pyrimidin-2-yl]amino]adamantan-1-ol
CID 163253366
2-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 11996931

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol (CID 166926165) is 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol is Cc1cc(Nc2nc(NC3C4CC5CC3CC(O)(C5)C4)nc3cc[nH]c23)n[nH]1.
What is the InChIKey of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol?
The InChIKey is BWFZNTBOZBISTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-10-4-15(27-26-10)23-18-17-14(2-3-21-17)22-19(25-18)24-16-12-5-11-6-13(16)9-20(28,7-11)8-12/h2-4,11-13,16,21,28H,5-9H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol?
4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol has a molecular weight of 379.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]adamantan-1-ol is sourced from PubChem (CID 166926165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).