1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol

C17H22N6O3 — CID 168839053

IUPAC1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol
SMILESCOc1cccc(OC)c1Cn1cc2nc(N)nc(NCC(C)O)c2n1
InChIInChI=1S/C17H22N6O3/c1-10(24)7-19-16-15-12(20-17(18)21-16)9-23(22-15)8-11-13(25-2)5-4-6-14(11)26-3/h4-6,9-10,24H,7-8H2,1-3H3,(H3,18,19,20,21)
InChIKeyUVTSFZCDNOEPPY-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.27
Rot. Bonds7

About 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol

1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol (PubChem CID 168839053) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol
PubChem CID168839053
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol
SMILESCOc1cccc(OC)c1Cn1cc2nc(N)nc(NCC(C)O)c2n1
InChIInChI=1S/C17H22N6O3/c1-10(24)7-19-16-15-12(20-17(18)21-16)9-23(22-15)8-11-13(25-2)5-4-6-14(11)26-3/h4-6,9-10,24H,7-8H2,1-3H3,(H3,18,19,20,21)
InChIKeyUVTSFZCDNOEPPY-UHFFFAOYSA-N
XLogP1.27
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839301
2-[[4-[(2S)-2-aminopropyl]-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839333
2-[[4-(aminomethyl)-2,6-dimethoxyphenyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839247
7-N-butyl-2-[[4-(chloromethyl)-2,6-dimethoxyphenyl]methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839086
(2S)-2-[[5-amino-2-[[4-[(1S)-1-aminoethyl]-2,6-dimethoxyphenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]pentan-1-ol
CID 168839115
cis-(1S,3R)-3-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
CID 168839286
7-N-butyl-2-[(4-methoxy-3-pyridinyl)methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839228
7-N-butyl-2-[(3-methoxy-4-pyridinyl)methyl]pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839312
[(1R,2S)-2-[[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
CID 168839253
2-[[6-(3-aminopropylamino)-3-methoxy-2-pyridinyl]methyl]-7-N-butylpyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 168839114
(2S)-2-[[5-amino-2-[[4-[[2-aminoethyl(methyl)amino]methyl]-2,6-dimethoxyphenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]pentan-1-ol
CID 168839338
(2S)-2-[[5-amino-2-[[4-[[3-aminopropyl(methyl)amino]methyl]-2,6-dimethoxyphenyl]methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]pentan-1-ol
CID 168839341

Frequently Asked Questions

What is the IUPAC name of 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol?
The IUPAC name of 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol (CID 168839053) is 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol is COc1cccc(OC)c1Cn1cc2nc(N)nc(NCC(C)O)c2n1.
What is the InChIKey of 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol?
The InChIKey is UVTSFZCDNOEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-10(24)7-19-16-15-12(20-17(18)21-16)9-23(22-15)8-11-13(25-2)5-4-6-14(11)26-3/h4-6,9-10,24H,7-8H2,1-3H3,(H3,18,19,20,21).
What are the key properties of 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol?
1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol has a molecular weight of 358.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-amino-2-[(2,6-dimethoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]amino]propan-2-ol is sourced from PubChem (CID 168839053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).