(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol

C19H28N8O — CID 171851734

IUPAC(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cc(C3CC3)[nH]n2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H28N8O/c1-10(2)14(8-28)21-19-23-17(16-18(24-19)27(9-20-16)11(3)4)22-15-7-13(25-26-15)12-5-6-12/h7,9-12,14,28H,5-6,8H2,1-4H3,(H3,21,22,23,24,25,26)/t14-/m0/s1
InChIKeyZEJYMNVVORUJNG-AWEZNQCLSA-N
MW384.49 g/mol
LogP3.18
Rot. Bonds8

About (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol

(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 171851734) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID171851734
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(Nc2cc(C3CC3)[nH]n2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C19H28N8O/c1-10(2)14(8-28)21-19-23-17(16-18(24-19)27(9-20-16)11(3)4)22-15-7-13(25-26-15)12-5-6-12/h7,9-12,14,28H,5-6,8H2,1-4H3,(H3,21,22,23,24,25,26)/t14-/m0/s1
InChIKeyZEJYMNVVORUJNG-AWEZNQCLSA-N
XLogP3.18
TPSA116.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3-methoxyphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 171851741
2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
CID 23393285
(2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 6604931
3-methyl-2-[[6-[(5-piperazin-1-yl-2-pyridinyl)amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
CID 68898587
4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]-2-methylphenol
CID 59098477
(2R)-3-methyl-2-[[6-[[(3S,5S)-5-methyl-1-methylsulfonylpyrrolidin-3-yl]amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
CID 171802537
3-methyl-2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;sulfane
CID 161351604
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 69063992
3-methyl-2-[(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)amino]butan-1-ol
CID 11002554
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 59758040
(2R)-2-[[6-(cyclopropylmethylamino)-9-propan-2-ylpurin-2-yl]amino]pentan-1-ol
CID 138485262
(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol
CID 68524394

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol (CID 171851734) is (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(Nc2cc(C3CC3)[nH]n2)c2ncn(C(C)C)c2n1.
What is the InChIKey of (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is ZEJYMNVVORUJNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N8O/c1-10(2)14(8-28)21-19-23-17(16-18(24-19)27(9-20-16)11(3)4)22-15-7-13(25-26-15)12-5-6-12/h7,9-12,14,28H,5-6,8H2,1-4H3,(H3,21,22,23,24,25,26)/t14-/m0/s1.
What are the key properties of (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol?
(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 384.49 g/mol, XLogP of 3.18, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 171851734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).