6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one

C21H26N6O — CID 126944686

IUPAC6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(c3ncnc4ncccc34)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-21(2,3)17-11-18(28)27(14-25-17)12-15-6-9-26(10-7-15)20-16-5-4-8-22-19(16)23-13-24-20/h4-5,8,11,13-15H,6-7,9-10,12H2,1-3H3
InChIKeyRSAQNFCJJYURCY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.80
Rot. Bonds3

About 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one

6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 126944686) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID126944686
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(c3ncnc4ncccc34)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-21(2,3)17-11-18(28)27(14-25-17)12-15-6-9-26(10-7-15)20-16-5-4-8-22-19(16)23-13-24-20/h4-5,8,11,13-15H,6-7,9-10,12H2,1-3H3
InChIKeyRSAQNFCJJYURCY-UHFFFAOYSA-N
XLogP2.80
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-tert-butyl-3-[[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944688
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-tert-butyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944613
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126944336
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 126944666
6-tert-butyl-3-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944389
6-tert-butyl-3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944617
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-(pyrimidin-4-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944481
3-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943787
3-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943506

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 126944686) is 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one is CC(C)(C)c1cc(=O)n(CC2CCN(c3ncnc4ncccc34)CC2)cn1.
What is the InChIKey of 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is RSAQNFCJJYURCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-21(2,3)17-11-18(28)27(14-25-17)12-15-6-9-26(10-7-15)20-16-5-4-8-22-19(16)23-13-24-20/h4-5,8,11,13-15H,6-7,9-10,12H2,1-3H3.
What are the key properties of 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126944686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).