1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H25N5O — CID 95882991

IUPAC1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCCO[C@@H]1CCCN(c2nc(C)nc3c2c(C)nn3C)C1
InChIInChI=1S/C16H25N5O/c1-5-9-22-13-7-6-8-21(10-13)16-14-11(2)19-20(4)15(14)17-12(3)18-16/h13H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyNIDDDBPTVCGGPD-CYBMUJFWSA-N
MW303.41 g/mol
LogP2.38
Rot. Bonds4

About 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 95882991) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID95882991
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCCCO[C@@H]1CCCN(c2nc(C)nc3c2c(C)nn3C)C1
InChIInChI=1S/C16H25N5O/c1-5-9-22-13-7-6-8-21(10-13)16-14-11(2)19-20(4)15(14)17-12(3)18-16/h13H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyNIDDDBPTVCGGPD-CYBMUJFWSA-N
XLogP2.38
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2,5-dimethyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80784750
4-chloro-2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 80732072
4,5,6-trimethyl-2-(3-propoxypiperidin-1-yl)pyridine-3-carbonitrile
CID 135110937
2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981
1,3,6-trimethyl-4-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 70748309
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95729184
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272
[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80905049
2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
CID 133315305
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 95882991) is 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is CCCO[C@@H]1CCCN(c2nc(C)nc3c2c(C)nn3C)C1.
What is the InChIKey of 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is NIDDDBPTVCGGPD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-9-22-13-7-6-8-21(10-13)16-14-11(2)19-20(4)15(14)17-12(3)18-16/h13H,5-10H2,1-4H3/t13-/m1/s1.
What are the key properties of 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 303.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95882991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).