5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride

C11H16ClN5O4 — CID 160913249

IUPAC5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1c[nH]c(=O)[nH]c1=O.Cl.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2.C4H4N2O2.ClH/c1-10(2)4-5-3-8-7(12)9-6(5)11;7-3-1-2-5-4(8)6-3;/h3H,4H2,1-2H3,(H2,8,9,11,12);1-2H,(H2,5,6,7,8);1H
InChIKeySRBLXEQKJIQIRR-UHFFFAOYSA-N
MW317.73 g/mol
LogP-1.39
Rot. Bonds2

About 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride

5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 160913249) has the molecular formula C11H16ClN5O4 and a molecular weight of 317.73 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID160913249
Molecular FormulaC11H16ClN5O4
Molecular Weight317.73 g/mol
Exact Mass317.09
IUPAC Name5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1c[nH]c(=O)[nH]c1=O.Cl.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C7H11N3O2.C4H4N2O2.ClH/c1-10(2)4-5-3-8-7(12)9-6(5)11;7-3-1-2-5-4(8)6-3;/h3H,4H2,1-2H3,(H2,8,9,11,12);1-2H,(H2,5,6,7,8);1H
InChIKeySRBLXEQKJIQIRR-UHFFFAOYSA-N
XLogP-1.39
TPSA134.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

propane;1H-pyrimidine-2,4-dione
CID 19366284
5-[[2-chloroethyl(methyl)amino]methyl]-1H-pyrimidine-2,4-dione
CID 118888029
CID 157397533
CID 157397533
acetylene;1H-pyrimidine-2,4-dione
CID 158617730
lithium;hydride;1H-pyrimidine-2,4-dione
CID 175507563
5-prop-1-ynyl-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione
CID 158890012
prop-1-yne;1H-pyrimidine-2,4-dione
CID 19366285
methylhydrazine;1H-pyrimidine-2,4-dione
CID 70486662
acetic acid;1H-pyrimidine-2,4-dione
CID 21112404
piperidine;1H-pyrimidine-2,4-dione
CID 174523107
3-(4-aminobut-2-enyl)-4-[(dimethylamino)methyl]-1H-pyridin-2-one
CID 57034420
bis(5-(hydroxymethyl)-1H-pyrimidine-2,4-dione);hydrate
CID 70550921

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride (CID 160913249) is 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride is CN(C)Cc1c[nH]c(=O)[nH]c1=O.Cl.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is SRBLXEQKJIQIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.C4H4N2O2.ClH/c1-10(2)4-5-3-8-7(12)9-6(5)11;7-3-1-2-5-4(8)6-3;/h3H,4H2,1-2H3,(H2,8,9,11,12);1-2H,(H2,5,6,7,8);1H.
What are the key properties of 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride?
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 317.73 g/mol, XLogP of -1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione;1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 160913249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).