5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one

C10H11N5O2 — CID 616185

IUPAC5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cnc(Nc2ncc(C)c(=O)[nH]2)[nH]c1=O
InChIInChI=1S/C10H11N5O2/c1-5-3-11-9(13-7(5)16)15-10-12-4-6(2)8(17)14-10/h3-4H,1-2H3,(H3,11,12,13,14,15,16,17)
InChIKeySATIHDSIVBCRJC-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.21
Rot. Bonds2

About 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one

5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 616185) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID616185
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cnc(Nc2ncc(C)c(=O)[nH]2)[nH]c1=O
InChIInChI=1S/C10H11N5O2/c1-5-3-11-9(13-7(5)16)15-10-12-4-6(2)8(17)14-10/h3-4H,1-2H3,(H3,11,12,13,14,15,16,17)
InChIKeySATIHDSIVBCRJC-UHFFFAOYSA-N
XLogP0.21
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one (CID 616185) is 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one is Cc1cnc(Nc2ncc(C)c(=O)[nH]2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is SATIHDSIVBCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-5-3-11-9(13-7(5)16)15-10-12-4-6(2)8(17)14-10/h3-4H,1-2H3,(H3,11,12,13,14,15,16,17).
What are the key properties of 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one?
5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 233.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 616185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).