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

C12H16N6O2 — CID 135840218

IUPAC2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc(-c2cnc(N(C)C)[nH]c2=O)cc(=O)[nH]1
InChIInChI=1S/C12H16N6O2/c1-17(2)11-13-6-7(10(20)16-11)8-5-9(19)15-12(14-8)18(3)4/h5-6H,1-4H3,(H,13,16,20)(H,14,15,19)
InChIKeyBGMORZJYQCJWPX-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.35
Rot. Bonds3

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

2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one (PubChem CID 135840218) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one
PubChem CID135840218
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one
SMILESCN(C)c1nc(-c2cnc(N(C)C)[nH]c2=O)cc(=O)[nH]1
InChIInChI=1S/C12H16N6O2/c1-17(2)11-13-6-7(10(20)16-11)8-5-9(19)15-12(14-8)18(3)4/h5-6H,1-4H3,(H,13,16,20)(H,14,15,19)
InChIKeyBGMORZJYQCJWPX-UHFFFAOYSA-N
XLogP-0.35
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3Z)-2-fluorohexa-1,3,5-trien-3-yl]-3-methyl-1H-pyrimido[1,2-a]pyrimidine-2,6-dione
CID 144172725
6-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1-(2-methoxyethyl)-2-sulfanylidenepyrimidin-4-one
CID 89557950
2-[2-(diethylamino)-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 135850719
6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one;(4E,5E)-5-(aminomethylidene)-4-(1-amino-2-methylpropylidene)-1H-pyrimidin-6-one;molecular hydrogen
CID 145188186
2-(Dimethylamino)-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 164143870
2-(3-ethyl-4,6-dimethyl-2H-pyridin-1-yl)-5-methyl-1H-pyrimidin-6-one
CID 164998185
4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one;hydroiodide
CID 119129753
4,6-dimethyl-3-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]-1H-pyridin-2-one
CID 119129754
2,2'-Di(piperidin-1-yl)-[4,5'-bipyrimidine]-4',6(1H,3'H)-dione
CID 136227023
[4,5'-Bipyrimidine]-4',6(1H,3'H)-dione
CID 136227024
2-(diethylamino)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136963329
2-(Dimethylamino)-6-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 151202792

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one (CID 135840218) is 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one is CN(C)c1nc(-c2cnc(N(C)C)[nH]c2=O)cc(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one?
The InChIKey is BGMORZJYQCJWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-17(2)11-13-6-7(10(20)16-11)8-5-9(19)15-12(14-8)18(3)4/h5-6H,1-4H3,(H,13,16,20)(H,14,15,19).
What are the key properties of 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one has a molecular weight of 276.30 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[2-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135840218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).