3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione

C16H21N5O2 — CID 154830380

IUPAC3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione
SMILESCc1cnn(C2CC3CCC(C2)N3c2cc(=O)n(C)c(=O)[nH]2)c1
InChIInChI=1S/C16H21N5O2/c1-10-8-17-20(9-10)13-5-11-3-4-12(6-13)21(11)14-7-15(22)19(2)16(23)18-14/h7-9,11-13H,3-6H2,1-2H3,(H,18,23)
InChIKeyDICXPRYYCFYFPL-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.95
Rot. Bonds2

About 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione

3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione (PubChem CID 154830380) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione
PubChem CID154830380
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione
SMILESCc1cnn(C2CC3CCC(C2)N3c2cc(=O)n(C)c(=O)[nH]2)c1
InChIInChI=1S/C16H21N5O2/c1-10-8-17-20(9-10)13-5-11-3-4-12(6-13)21(11)14-7-15(22)19(2)16(23)18-14/h7-9,11-13H,3-6H2,1-2H3,(H,18,23)
InChIKeyDICXPRYYCFYFPL-UHFFFAOYSA-N
XLogP0.95
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione (CID 154830380) is 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione is Cc1cnn(C2CC3CCC(C2)N3c2cc(=O)n(C)c(=O)[nH]2)c1.
What is the InChIKey of 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is DICXPRYYCFYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-8-17-20(9-10)13-5-11-3-4-12(6-13)21(11)14-7-15(22)19(2)16(23)18-14/h7-9,11-13H,3-6H2,1-2H3,(H,18,23).
What are the key properties of 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione?
3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 315.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154830380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).