3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol

C19H25N5O — CID 56906863

IUPAC3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(NC(CCO)c2ccc(C)cc2)c2cnn(C)c2n1
InChIInChI=1S/C19H25N5O/c1-4-5-17-22-18(15-12-20-24(3)19(15)23-17)21-16(10-11-25)14-8-6-13(2)7-9-14/h6-9,12,16,25H,4-5,10-11H2,1-3H3,(H,21,22,23)
InChIKeyGVNGFJNHIYFDTR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.16
Rot. Bonds7

About 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol

3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 56906863) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID56906863
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(NC(CCO)c2ccc(C)cc2)c2cnn(C)c2n1
InChIInChI=1S/C19H25N5O/c1-4-5-17-22-18(15-12-20-24(3)19(15)23-17)21-16(10-11-25)14-8-6-13(2)7-9-14/h6-9,12,16,25H,4-5,10-11H2,1-3H3,(H,21,22,23)
InChIKeyGVNGFJNHIYFDTR-UHFFFAOYSA-N
XLogP3.16
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(R)-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-phenylmethyl]-1,3,4-thiadiazol-2-amine
CID 95720339
5-[(S)-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-phenylmethyl]-1,3,4-thiadiazol-2-amine
CID 95720338
6-ethyl-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95730110
(2S)-2-[[1-methyl-6-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propanamide
CID 56901945
N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56918778
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707471
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 63220157
(3R)-3-(4-methylphenyl)-3-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95874013
2-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl-methylamino]propan-1-ol
CID 104554373
3-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methylsulfanyl]propane-1,2-diol
CID 79670267

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol (CID 56906863) is 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol is CCCc1nc(NC(CCO)c2ccc(C)cc2)c2cnn(C)c2n1.
What is the InChIKey of 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is GVNGFJNHIYFDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-5-17-22-18(15-12-20-24(3)19(15)23-17)21-16(10-11-25)14-8-6-13(2)7-9-14/h6-9,12,16,25H,4-5,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol?
3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 339.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-3-[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 56906863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).