1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione

C8H13N3O2 — CID 46705762

IUPAC1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCNc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-5-6(9-2)7(12)11(4)8(13)10(5)3/h9H,1-4H3
InChIKeyJVIKKICOPVVSMX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.57
Rot. Bonds1

About 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione

1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione (PubChem CID 46705762) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione
PubChem CID46705762
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCNc1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-5-6(9-2)7(12)11(4)8(13)10(5)3/h9H,1-4H3
InChIKeyJVIKKICOPVVSMX-UHFFFAOYSA-N
XLogP-0.57
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetylamino-6-amino-3-methyluracil
CID 88299
6-Amino-5-formamido-1,3-dimethyluracil
CID 82070
5,6-Diamino-1,3-dimethyluracil
CID 79501
3-Methyl-4,5-diaminouracil
CID 157184
5-Acetylamino-6-formylamino-3-methyluracil
CID 108214
6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
5-Amino-3,6-dimethylpyrimidine-2,4(1H,3H)-dione
CID 57357509
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
5-(Dimethylamino)uracil
CID 255552
SS-3364
CID 1201412
Uracil, 5-(dimethylamino)-1,3,6-trimethyl-
CID 217287

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione (CID 46705762) is 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione is CNc1c(C)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione?
The InChIKey is JVIKKICOPVVSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(9-2)7(12)11(4)8(13)10(5)3/h9H,1-4H3.
What are the key properties of 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione?
1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-5-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 46705762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).