4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C17H20N6O — CID 30859365

IUPAC4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3[nH]ncc23)cc1
InChIInChI=1S/C17H20N6O/c1-11-4-6-12(7-5-11)20-15-14-10-19-23-16(14)22-17(21-15)18-9-13-3-2-8-24-13/h4-7,10,13H,2-3,8-9H2,1H3,(H3,18,19,20,21,22,23)/t13-/m1/s1
InChIKeyGSXSDWKERPODQK-CYBMUJFWSA-N
MW324.39 g/mol
LogP3.00
Rot. Bonds5

About 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 30859365) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID30859365
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3[nH]ncc23)cc1
InChIInChI=1S/C17H20N6O/c1-11-4-6-12(7-5-11)20-15-14-10-19-23-16(14)22-17(21-15)18-9-13-3-2-8-24-13/h4-7,10,13H,2-3,8-9H2,1H3,(H3,18,19,20,21,22,23)/t13-/m1/s1
InChIKeyGSXSDWKERPODQK-CYBMUJFWSA-N
XLogP3.00
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(4-methoxyphenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27443533
4-N-(4-fluorophenyl)-5-nitro-2-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 7509536
2-N-(4-methylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935644
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
N-(oxan-2-ylmethyl)-1H-pyrazolo[5,4-b]pyridin-6-amine
CID 166385524
N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 30859379
5-N-(4-chlorophenyl)-3-N-(oxolan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112944629
4-N-(3-fluorophenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 41148526
4-N-[(4-ethylmorpholin-2-yl)methyl]-6-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 114401493
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
4-N-(3-chlorophenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 41148410
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 30859365) is 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3[nH]ncc23)cc1.
What is the InChIKey of 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is GSXSDWKERPODQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-4-6-12(7-5-11)20-15-14-10-19-23-16(14)22-17(21-15)18-9-13-3-2-8-24-13/h4-7,10,13H,2-3,8-9H2,1H3,(H3,18,19,20,21,22,23)/t13-/m1/s1.
What are the key properties of 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 324.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 30859365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).