3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide

C12H14N6O5 — CID 118606702

IUPAC3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide
SMILESCNC(=O)n1c(=O)ccn(CN(C)c2c[nH]c(=O)[nH]c2=O)c1=O
InChIInChI=1S/C12H14N6O5/c1-13-11(22)18-8(19)3-4-17(12(18)23)6-16(2)7-5-14-10(21)15-9(7)20/h3-5H,6H2,1-2H3,(H,13,22)(H2,14,15,20,21)
InChIKeyCHAHDIXZTSJVRG-UHFFFAOYSA-N
MW322.28 g/mol
LogP-2.33
Rot. Bonds3

About 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide

3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide (PubChem CID 118606702) has the molecular formula C12H14N6O5 and a molecular weight of 322.28 g/mol. Its IUPAC name is 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide
PubChem CID118606702
Molecular FormulaC12H14N6O5
Molecular Weight322.28 g/mol
Exact Mass322.10
IUPAC Name3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide
SMILESCNC(=O)n1c(=O)ccn(CN(C)c2c[nH]c(=O)[nH]c2=O)c1=O
InChIInChI=1S/C12H14N6O5/c1-13-11(22)18-8(19)3-4-17(12(18)23)6-16(2)7-5-14-10(21)15-9(7)20/h3-5H,6H2,1-2H3,(H,13,22)(H2,14,15,20,21)
InChIKeyCHAHDIXZTSJVRG-UHFFFAOYSA-N
XLogP-2.33
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide?
The IUPAC name of 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide (CID 118606702) is 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide is CNC(=O)n1c(=O)ccn(CN(C)c2c[nH]c(=O)[nH]c2=O)c1=O.
What is the InChIKey of 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide?
The InChIKey is CHAHDIXZTSJVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O5/c1-13-11(22)18-8(19)3-4-17(12(18)23)6-16(2)7-5-14-10(21)15-9(7)20/h3-5H,6H2,1-2H3,(H,13,22)(H2,14,15,20,21).
What are the key properties of 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide?
3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide has a molecular weight of 322.28 g/mol, XLogP of -2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,4-dioxo-1H-pyrimidin-5-yl)-methylamino]methyl]-N-methyl-2,6-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 118606702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).