2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one

C12H15N5O2 — CID 15133963

IUPAC2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(Nc2nc(C)cc(=O)n2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-5-9(18)16(3)11(13-7)15-12-14-8(2)6-10(19)17(12)4/h5-6H,1-4H3,(H,13,14,15)
InChIKeyUTCDZWILIVTHGW-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.23
Rot. Bonds2

About 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one

2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one (PubChem CID 15133963) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one
PubChem CID15133963
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(Nc2nc(C)cc(=O)n2C)n1
InChIInChI=1S/C12H15N5O2/c1-7-5-9(18)16(3)11(13-7)15-12-14-8(2)6-10(19)17(12)4/h5-6H,1-4H3,(H,13,14,15)
InChIKeyUTCDZWILIVTHGW-UHFFFAOYSA-N
XLogP0.23
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one (CID 15133963) is 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(Nc2nc(C)cc(=O)n2C)n1.
What is the InChIKey of 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one?
The InChIKey is UTCDZWILIVTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7-5-9(18)16(3)11(13-7)15-12-14-8(2)6-10(19)17(12)4/h5-6H,1-4H3,(H,13,14,15).
What are the key properties of 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one?
2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one has a molecular weight of 261.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethyl-6-oxopyrimidin-2-yl)amino]-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 15133963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).