6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one

C18H25N5O2 — CID 126940814

IUPAC6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CCC(Cn3cncc(C)c3=O)CC2)cn1
InChIInChI=1S/C18H25N5O2/c1-14-10-19-12-23(18(14)25)11-16-3-5-21(6-4-16)7-8-22-13-20-15(2)9-17(22)24/h9-10,12-13,16H,3-8,11H2,1-2H3
InChIKeyXZMUOVKPEBMFID-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.83
Rot. Bonds5

About 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one

6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 126940814) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one
PubChem CID126940814
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCN2CCC(Cn3cncc(C)c3=O)CC2)cn1
InChIInChI=1S/C18H25N5O2/c1-14-10-19-12-23(18(14)25)11-16-3-5-21(6-4-16)7-8-22-13-20-15(2)9-17(22)24/h9-10,12-13,16H,3-8,11H2,1-2H3
InChIKeyXZMUOVKPEBMFID-UHFFFAOYSA-N
XLogP0.83
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one (CID 126940814) is 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCN2CCC(Cn3cncc(C)c3=O)CC2)cn1.
What is the InChIKey of 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is XZMUOVKPEBMFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-10-19-12-23(18(14)25)11-16-3-5-21(6-4-16)7-8-22-13-20-15(2)9-17(22)24/h9-10,12-13,16H,3-8,11H2,1-2H3.
What are the key properties of 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one?
6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 126940814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).