5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione

C12H14N4O2 — CID 112650322

IUPAC5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESCc1cccnc1Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-14-10(8)7-16-11(17)9(13)6-15(2)12(16)18/h3-6H,7,13H2,1-2H3
InChIKeyJXZOMDJRQQCAMS-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.12
Rot. Bonds2

About 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione

5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 112650322) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID112650322
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESCc1cccnc1Cn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C12H14N4O2/c1-8-4-3-5-14-10(8)7-16-11(17)9(13)6-15(2)12(16)18/h3-6H,7,13H2,1-2H3
InChIKeyJXZOMDJRQQCAMS-UHFFFAOYSA-N
XLogP-0.12
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-methyl-3-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
CID 55240714
5-amino-1-methyl-3-[(1-methyltriazol-4-yl)methyl]pyrimidine-2,4-dione
CID 107042848
1-[(3-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
CID 112597998
2-chloro-1-[2,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
CID 63306610
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
5-acetyl-3-[(3-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-dione
CID 80643852
4-chloro-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-amine
CID 112650324
5-amino-3-[(2-chloro-5-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102616051
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
3,5-diethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 112650329
1-[(3-methyl-2-pyridinyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017678
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione (CID 112650322) is 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione is Cc1cccnc1Cn1c(=O)c(N)cn(C)c1=O.
What is the InChIKey of 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is JXZOMDJRQQCAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-4-3-5-14-10(8)7-16-11(17)9(13)6-15(2)12(16)18/h3-6H,7,13H2,1-2H3.
What are the key properties of 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione?
5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-[(3-methyl-2-pyridinyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112650322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).