1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol

C19H25N5O — CID 138044587

IUPAC1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(Cc1ccccc1)c1nc(C)nc2c1cnn2C
InChIInChI=1S/C19H25N5O/c1-5-19(3,25)13-24(12-15-9-7-6-8-10-15)18-16-11-20-23(4)17(16)21-14(2)22-18/h6-11,25H,5,12-13H2,1-4H3
InChIKeyZQCVJKANVBCWCS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.84
Rot. Bonds6

About 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol

1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 138044587) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID138044587
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(Cc1ccccc1)c1nc(C)nc2c1cnn2C
InChIInChI=1S/C19H25N5O/c1-5-19(3,25)13-24(12-15-9-7-6-8-10-15)18-16-11-20-23(4)17(16)21-14(2)22-18/h6-11,25H,5,12-13H2,1-4H3
InChIKeyZQCVJKANVBCWCS-UHFFFAOYSA-N
XLogP2.84
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 165433761
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 61013957
N-[[3-(difluoromethoxy)phenyl]methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 71886373
2-[benzyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
CID 7216401
N,1,6-trimethyl-N-(1H-pyrazol-4-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 166260521
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,1,6-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56916306
4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 139027454
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872
1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
CID 130952113
1-benzyl-1-[(2S)-2-hydroxy-2-methylbutyl]-3,3-dimethylurea
CID 99830823
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
6-N-benzyl-4-N-(1,5-dimethylpyrazol-3-yl)-4-N,1-dimethylpyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 118671232

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 138044587) is 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CN(Cc1ccccc1)c1nc(C)nc2c1cnn2C.
What is the InChIKey of 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is ZQCVJKANVBCWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-19(3,25)13-24(12-15-9-7-6-8-10-15)18-16-11-20-23(4)17(16)21-14(2)22-18/h6-11,25H,5,12-13H2,1-4H3.
What are the key properties of 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol?
1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 339.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 138044587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).