6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C20H29N5O2 — CID 126944465

IUPAC6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCn1cncc(CN2CCC(Cn3cnc(C(C)(C)C)cc3=O)CC2)c1=O
InChIInChI=1S/C20H29N5O2/c1-20(2,3)17-9-18(26)25(14-22-17)11-15-5-7-24(8-6-15)12-16-10-21-13-23(4)19(16)27/h9-10,13-15H,5-8,11-12H2,1-4H3
InChIKeyLJAJAQKNZJBPDG-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.55
Rot. Bonds4

About 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944465) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944465
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCn1cncc(CN2CCC(Cn3cnc(C(C)(C)C)cc3=O)CC2)c1=O
InChIInChI=1S/C20H29N5O2/c1-20(2,3)17-9-18(26)25(14-22-17)11-15-5-7-24(8-6-15)12-16-10-21-13-23(4)19(16)27/h9-10,13-15H,5-8,11-12H2,1-4H3
InChIKeyLJAJAQKNZJBPDG-UHFFFAOYSA-N
XLogP1.55
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

5,6-dimethyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941282
6-tert-butyl-3-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944504
6-tert-butyl-3-[[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944481
6-tert-butyl-3-[[1-[(3-methylpyrazin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944467
6-tert-butyl-3-[[1-(2-imidazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944524
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-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944433
6-tert-butyl-3-[[1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944582
7-[[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one
CID 126944440
6-tert-butyl-3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944683
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927853
6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944242

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944465) is 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cn1cncc(CN2CCC(Cn3cnc(C(C)(C)C)cc3=O)CC2)c1=O.
What is the InChIKey of 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is LJAJAQKNZJBPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)17-9-18(26)25(14-22-17)11-15-5-7-24(8-6-15)12-16-10-21-13-23(4)19(16)27/h9-10,13-15H,5-8,11-12H2,1-4H3.
What are the key properties of 6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 371.49 g/mol, XLogP of 1.55, 4 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-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).