2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one

C12H16N6O — CID 118741253

IUPAC2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nccc(-c2cnc(N(C)C)[nH]c2=O)n1
InChIInChI=1S/C12H16N6O/c1-17(2)11-13-6-5-9(15-11)8-7-14-12(18(3)4)16-10(8)19/h5-7H,1-4H3,(H,14,16,19)
InChIKeyMXVYNSJGPFCRLX-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.36
Rot. Bonds3

About 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one

2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 118741253) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
PubChem CID118741253
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nccc(-c2cnc(N(C)C)[nH]c2=O)n1
InChIInChI=1S/C12H16N6O/c1-17(2)11-13-6-5-9(15-11)8-7-14-12(18(3)4)16-10(8)19/h5-7H,1-4H3,(H,14,16,19)
InChIKeyMXVYNSJGPFCRLX-UHFFFAOYSA-N
XLogP0.36
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one (CID 118741253) is 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one is CN(C)c1nccc(-c2cnc(N(C)C)[nH]c2=O)n1.
What is the InChIKey of 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is MXVYNSJGPFCRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-17(2)11-13-6-5-9(15-11)8-7-14-12(18(3)4)16-10(8)19/h5-7H,1-4H3,(H,14,16,19).
What are the key properties of 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[2-(dimethylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 118741253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).