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

C9H16ClN3O4 — CID 54603578

IUPAC5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]cc(CN(CCO)CCO)c(=O)[nH]1
InChIInChI=1S/C9H15N3O4.ClH/c13-3-1-12(2-4-14)6-7-5-10-9(16)11-8(7)15;/h5,13-14H,1-4,6H2,(H2,10,11,15,16);1H
InChIKeyNRZUVJAFKGOSNT-UHFFFAOYSA-N
MW265.70 g/mol
LogP-1.73
Rot. Bonds6

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

5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 54603578) has the molecular formula C9H16ClN3O4 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID54603578
Molecular FormulaC9H16ClN3O4
Molecular Weight265.70 g/mol
Exact Mass265.08
IUPAC Name5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.O=c1[nH]cc(CN(CCO)CCO)c(=O)[nH]1
InChIInChI=1S/C9H15N3O4.ClH/c13-3-1-12(2-4-14)6-7-5-10-9(16)11-8(7)15;/h5,13-14H,1-4,6H2,(H2,10,11,15,16);1H
InChIKeyNRZUVJAFKGOSNT-UHFFFAOYSA-N
XLogP-1.73
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
5-[(2-hydroxyethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 72711413
2-Hydroxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium
CID 462760
5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}pyrimidine-2,4(1H,3H)-dione
CID 642664
N-(2-Hydroxyethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetamide
CID 379357
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107482660
N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 107483379
5-[[(3,3-Difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 113250649
(5Z)-5-[[bis(2-hydroxyethyl)amino]methylidene]-1-ethyl-1,3-diazinane-2,4,6-trione
CID 5383382
1-(2-hydroxyethyl)-2,4-dioxo-N-(2-sulfanylethyl)pyrimidine-5-carboxamide
CID 177679915
1,3-Bis(2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
CID 21434669
1-(2-Hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 65574225

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 54603578) is 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride is Cl.O=c1[nH]cc(CN(CCO)CCO)c(=O)[nH]1.
What is the InChIKey of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is NRZUVJAFKGOSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4.ClH/c13-3-1-12(2-4-14)6-7-5-10-9(16)11-8(7)15;/h5,13-14H,1-4,6H2,(H2,10,11,15,16);1H.
What are the key properties of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride?
5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of -1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 54603578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).