6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C12H21N5O2 — CID 2826399

IUPAC6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN(C)CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C12H21N5O2/c1-14(2)5-6-17-7-9-10(13-8-17)15(3)12(19)16(4)11(9)18/h13H,5-8H2,1-4H3
InChIKeyDJJIBVCIAURQLJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.17
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 2826399) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID2826399
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCN(C)CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C12H21N5O2/c1-14(2)5-6-17-7-9-10(13-8-17)15(3)12(19)16(4)11(9)18/h13H,5-8H2,1-4H3
InChIKeyDJJIBVCIAURQLJ-UHFFFAOYSA-N
XLogP-1.17
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 2826399) is 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CN(C)CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is DJJIBVCIAURQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-14(2)5-6-17-7-9-10(13-8-17)15(3)12(19)16(4)11(9)18/h13H,5-8H2,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).