5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione

C12H19N3O2 — CID 142344921

IUPAC5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(CC2CCCN(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-9-6-15(12(17)13-11(9)16)8-10-4-3-5-14(2)7-10/h6,10H,3-5,7-8H2,1-2H3,(H,13,16,17)
InChIKeyHUDVPPBSYSNKGN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.19
Rot. Bonds2

About 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione

5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 142344921) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID142344921
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1cn(CC2CCCN(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-9-6-15(12(17)13-11(9)16)8-10-4-3-5-14(2)7-10/h6,10H,3-5,7-8H2,1-2H3,(H,13,16,17)
InChIKeyHUDVPPBSYSNKGN-UHFFFAOYSA-N
XLogP0.19
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(Cyclohexylmethyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione
CID 137651218
3-ethyl-6-(4-methyl-1-piperidyl)-2,4(1H,3H)-pyrimidinedione
CID 6623929
5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
CID 20076510
1-Hexyl-5-methylpyrimidine-2,4(1H,3H)-dione
CID 23274062
5-(piperidin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 642681
5-(Dihexylaminomethyl)uracil
CID 21625651
1-(5-Aminopentyl)thymine
CID 21791485
5-Fluoro-1-(piperidin-3-ylmethyl)pyrimidine-2,4-dione
CID 63557590
1-[2-(4-Ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 54607276
1-(Cyclohexylmethyl)-5-methylpyrimidine-2,4-dione
CID 10898607
5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848803
5-Methyl-1-(5-methylhexyl)pyrimidine-2,4-dione
CID 59434697

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione (CID 142344921) is 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione is Cc1cn(CC2CCCN(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is HUDVPPBSYSNKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-15(12(17)13-11(9)16)8-10-4-3-5-14(2)7-10/h6,10H,3-5,7-8H2,1-2H3,(H,13,16,17).
What are the key properties of 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione?
5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 142344921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).