6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

C12H18N4O — CID 90865413

IUPAC6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)n(C)c(CCC)nc12
InChIInChI=1S/C12H18N4O/c1-4-6-8-10-11(15-14-8)12(17)16(3)9(13-10)7-5-2/h4-7H2,1-3H3,(H,14,15)
InChIKeyJYACJUVRBWNPNK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds4

About 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one

6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 90865413) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID90865413
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCc1[nH]nc2c(=O)n(C)c(CCC)nc12
InChIInChI=1S/C12H18N4O/c1-4-6-8-10-11(15-14-8)12(17)16(3)9(13-10)7-5-2/h4-7H2,1-3H3,(H,14,15)
InChIKeyJYACJUVRBWNPNK-UHFFFAOYSA-N
XLogP1.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 70010313
3-methyl-2-propyl-6H-furo[3,4-d]imidazol-4-one
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5-butyl-3-(6-piperidin-1-ylhexyl)-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 136633853
3-tert-butyl-5-chloro-6-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 90879965
4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
CID 6409175
7-(2-aminoethyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 51058603
1-(2-aminoethyl)-7-methyl-3,8-dipropylpurine-2,6-dione
CID 82466297
7-(3-aminopropyl)-1,3-dimethyl-8-propylpurine-2,6-dione
CID 82465748
8-(3-aminopropyl)-1,3-dimethyl-9-propylpurine-2,6-dione
CID 82463751
7-(4-fluorophenyl)-3-propyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 42585058
8-ethyl-1-methyl-6-propyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 90865413) is 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is CCCc1[nH]nc2c(=O)n(C)c(CCC)nc12.
What is the InChIKey of 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is JYACJUVRBWNPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-6-8-10-11(15-14-8)12(17)16(3)9(13-10)7-5-2/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one?
6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 234.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5-dipropyl-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 90865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).