5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride

C11H14ClN5O4 — CID 71779164

IUPAC5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(Cc1c[nH]c(=O)[nH]c1=O)Cc1c[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C11H13N5O4.ClH/c1-16(4-6-2-12-10(19)14-8(6)17)5-7-3-13-11(20)15-9(7)18;/h2-3H,4-5H2,1H3,(H2,12,14,17,19)(H2,13,15,18,20);1H
InChIKeyCOWNTRACYMLZEC-UHFFFAOYSA-N
MW315.72 g/mol
LogP-1.51
Rot. Bonds4

About 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride

5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 71779164) has the molecular formula C11H14ClN5O4 and a molecular weight of 315.72 g/mol. Its IUPAC name is 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID71779164
Molecular FormulaC11H14ClN5O4
Molecular Weight315.72 g/mol
Exact Mass315.07
IUPAC Name5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCN(Cc1c[nH]c(=O)[nH]c1=O)Cc1c[nH]c(=O)[nH]c1=O.Cl
InChIInChI=1S/C11H13N5O4.ClH/c1-16(4-6-2-12-10(19)14-8(6)17)5-7-3-13-11(20)15-9(7)18;/h2-3H,4-5H2,1H3,(H2,12,14,17,19)(H2,13,15,18,20);1H
InChIKeyCOWNTRACYMLZEC-UHFFFAOYSA-N
XLogP-1.51
TPSA134.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
Thyminalkamine
CID 145961
1,1'-Trimethylenebis(thymine)
CID 89902
5-(Aminomethyl)pyrimidine-2,4-diol hydrochloride
CID 54595486
5-(Aminomethyl)pyrimidine-2,4(1H,3H)-dione
CID 15218502
Thyminalkylamine
CID 145962
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 408478
1-Ethylthymine
CID 5246756
2,4(1H,3H)-Pyrimidinedione, 5-methyl-, dimer
CID 160169
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
Uracil, 5-((bis(2-fluoroethyl)amino)methyl)-, monohydrochloride
CID 204601

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 71779164) is 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride is CN(Cc1c[nH]c(=O)[nH]c1=O)Cc1c[nH]c(=O)[nH]c1=O.Cl.
What is the InChIKey of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is COWNTRACYMLZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4.ClH/c1-16(4-6-2-12-10(19)14-8(6)17)5-7-3-13-11(20)15-9(7)18;/h2-3H,4-5H2,1H3,(H2,12,14,17,19)(H2,13,15,18,20);1H.
What are the key properties of 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 315.72 g/mol, XLogP of -1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyl-methylamino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 71779164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).