2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol

C12H13N5O2 — CID 133323675

IUPAC2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol
SMILESCC(O)(CNc1ncnc2[nH]ncc12)c1ccco1
InChIInChI=1S/C12H13N5O2/c1-12(18,9-3-2-4-19-9)6-13-10-8-5-16-17-11(8)15-7-14-10/h2-5,7,18H,6H2,1H3,(H2,13,14,15,16,17)
InChIKeyYKCLNMNHALQIHY-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.27
Rot. Bonds4

About 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol

2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol (PubChem CID 133323675) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol
PubChem CID133323675
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol
SMILESCC(O)(CNc1ncnc2[nH]ncc12)c1ccco1
InChIInChI=1S/C12H13N5O2/c1-12(18,9-3-2-4-19-9)6-13-10-8-5-16-17-11(8)15-7-14-10/h2-5,7,18H,6H2,1H3,(H2,13,14,15,16,17)
InChIKeyYKCLNMNHALQIHY-UHFFFAOYSA-N
XLogP1.27
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
CID 139023673
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
2-(furan-2-yl)-1-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133323807
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-indazol-6-yl)acetamide
CID 99794548
2-(furan-2-yl)-1-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133323722
N-[2-(furan-2-yl)-2-hydroxypropyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 111482271
N-(2-fluoroethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 131102033
6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-N-methylpyridine-3-sulfonamide
CID 133323846
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carboxylic acid
CID 122054001
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol (CID 133323675) is 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol is CC(O)(CNc1ncnc2[nH]ncc12)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol?
The InChIKey is YKCLNMNHALQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-12(18,9-3-2-4-19-9)6-13-10-8-5-16-17-11(8)15-7-14-10/h2-5,7,18H,6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol?
2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol has a molecular weight of 259.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)propan-2-ol is sourced from PubChem (CID 133323675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).