2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol

C13H15N7O — CID 172828817

IUPAC2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol
SMILESCc1cc(Nc2cc3[nH]ncc3cn2)nc(NCCO)n1
InChIInChI=1S/C13H15N7O/c1-8-4-12(19-13(17-8)14-2-3-21)18-11-5-10-9(6-15-11)7-16-20-10/h4-7,21H,2-3H2,1H3,(H,16,20)(H2,14,15,17,18,19)
InChIKeyVFVVOPZYPPSDFK-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.20
Rot. Bonds5

About 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol

2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol (PubChem CID 172828817) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol
PubChem CID172828817
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol
SMILESCc1cc(Nc2cc3[nH]ncc3cn2)nc(NCCO)n1
InChIInChI=1S/C13H15N7O/c1-8-4-12(19-13(17-8)14-2-3-21)18-11-5-10-9(6-15-11)7-16-20-10/h4-7,21H,2-3H2,1H3,(H,16,20)(H2,14,15,17,18,19)
InChIKeyVFVVOPZYPPSDFK-UHFFFAOYSA-N
XLogP1.20
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
6-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 107855289
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
2-[[2-[1-(4-fluorophenyl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethanol
CID 69186816
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-5-methylpyrazine-2-carboxamide
CID 122294736
4-N-(1H-indazol-6-yl)-6-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 156704704
2-[[2-[(4-amino-1H-indazol-6-yl)amino]-8-methylquinazolin-7-yl]amino]ethanol
CID 59615316
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol
CID 117089895

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol (CID 172828817) is 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol is Cc1cc(Nc2cc3[nH]ncc3cn2)nc(NCCO)n1.
What is the InChIKey of 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol?
The InChIKey is VFVVOPZYPPSDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-8-4-12(19-13(17-8)14-2-3-21)18-11-5-10-9(6-15-11)7-16-20-10/h4-7,21H,2-3H2,1H3,(H,16,20)(H2,14,15,17,18,19).
What are the key properties of 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol?
2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol has a molecular weight of 285.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(1H-pyrazolo[4,3-c]pyridin-6-ylamino)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 172828817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).