3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one

C21H29N5O2 — CID 126944666

IUPAC3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(c3nccn(C4CC4)c3=O)CC2)cn1
InChIInChI=1S/C21H29N5O2/c1-21(2,3)17-12-18(27)25(14-23-17)13-15-6-9-24(10-7-15)19-20(28)26(11-8-22-19)16-4-5-16/h8,11-12,14-16H,4-7,9-10,13H2,1-3H3
InChIKeyGUJFMGDCEKKYLV-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.35
Rot. Bonds4

About 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one

3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one (PubChem CID 126944666) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one
PubChem CID126944666
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(c3nccn(C4CC4)c3=O)CC2)cn1
InChIInChI=1S/C21H29N5O2/c1-21(2,3)17-12-18(27)25(14-23-17)13-15-6-9-24(10-7-15)19-20(28)26(11-8-22-19)16-4-5-16/h8,11-12,14-16H,4-7,9-10,13H2,1-3H3
InChIKeyGUJFMGDCEKKYLV-UHFFFAOYSA-N
XLogP2.35
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one with MolForge

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Related Compounds

6-tert-butyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944613
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126944336
6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944686
6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944416
6-tert-butyl-3-[[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944688
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
6-tert-butyl-3-[[1-[(1,1-dioxothian-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944581
6-tert-butyl-3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944617
6-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-2,5-dimethylpyrazolo[3,4-d]pyrimidin-4-one
CID 126944676
6-tert-butyl-3-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944619
6-tert-butyl-3-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944524
6-tert-butyl-3-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944599

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one (CID 126944666) is 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one is CC(C)(C)c1cc(=O)n(CC2CCN(c3nccn(C4CC4)c3=O)CC2)cn1.
What is the InChIKey of 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
The InChIKey is GUJFMGDCEKKYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-21(2,3)17-12-18(27)25(14-23-17)13-15-6-9-24(10-7-15)19-20(28)26(11-8-22-19)16-4-5-16/h8,11-12,14-16H,4-7,9-10,13H2,1-3H3.
What are the key properties of 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one?
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one has a molecular weight of 383.50 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 126944666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).