2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C15H21N5O — CID 56877826

IUPAC2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCCc1nc(C)cc(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C15H21N5O/c1-3-4-14-17-11(2)7-15(18-14)19-9-12-8-16-20(5-6-21)13(12)10-19/h7-8,21H,3-6,9-10H2,1-2H3
InChIKeyLUSHYSPCHUTILV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.45
Rot. Bonds5

About 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56877826) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56877826
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCCc1nc(C)cc(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C15H21N5O/c1-3-4-14-17-11(2)7-15(18-14)19-9-12-8-16-20(5-6-21)13(12)10-19/h7-8,21H,3-6,9-10H2,1-2H3
InChIKeyLUSHYSPCHUTILV-UHFFFAOYSA-N
XLogP1.45
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117217
2-[5-[6-isopropyl-2-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56706166
2-[5-(2-methyl-5-propylpyrimidin-4-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56718851
2-[5-(3,6-dimethylpyrazin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56741955
2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56754901
2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56760028
N,5,6-trimethyl-N-((1-methyl-1H-pyrazol-5-yl)methyl)pyrimidin-4-amine
CID 119103637
4-[3-(1-ethyl-1H-pyrazol-5-yl)-1-methyl-1H-1,2,4-triazol-5-yl]morpholine
CID 121509247
N~4~-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N~4~-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 122131138
2-[3-(2-methoxyethyl)-5-pyrazolo[1,5-a]pyrimidin-2-yl-1H-1,2,4-triazol-1-yl]ethanol
CID 129622144
2-({6-[[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]pyrimidin-4-yl}amino)ethanol
CID 132411042
1-[4-(2-methoxyethyl)-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-3,6-dihydro-2H-pyridine
CID 138011687

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56877826) is 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is CCCc1nc(C)cc(N2Cc3cnn(CCO)c3C2)n1.
What is the InChIKey of 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is LUSHYSPCHUTILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-4-14-17-11(2)7-15(18-14)19-9-12-8-16-20(5-6-21)13(12)10-19/h7-8,21H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 287.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methyl-2-propylpyrimidin-4-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56877826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).