4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one

C11H18N4O4 — CID 10236293

IUPAC4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCN(C)CNc1ccn(C2COC(CO)O2)c(=O)n1
InChIInChI=1S/C11H18N4O4/c1-14(2)7-12-8-3-4-15(11(17)13-8)9-6-18-10(5-16)19-9/h3-4,9-10,16H,5-7H2,1-2H3,(H,12,13,17)
InChIKeyQRDYAGSSFCLZLD-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.96
Rot. Bonds5

About 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one

4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one (PubChem CID 10236293) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
PubChem CID10236293
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESCN(C)CNc1ccn(C2COC(CO)O2)c(=O)n1
InChIInChI=1S/C11H18N4O4/c1-14(2)7-12-8-3-4-15(11(17)13-8)9-6-18-10(5-16)19-9/h3-4,9-10,16H,5-7H2,1-2H3,(H,12,13,17)
InChIKeyQRDYAGSSFCLZLD-UHFFFAOYSA-N
XLogP-0.96
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(benzotriazol-1-ylmethylamino)-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 59035833
1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-4-[(2-oxo-1,3,2λ5-dioxaphosphonan-2-yl)amino]pyrimidin-2-one
CID 142664760
1-benzyl-3-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]urea
CID 59035568
N-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]-4-pentylcyclohexane-1-carboxamide
CID 59035700
tert-butyl N-benzyl-N-[6-[[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexyl]carbamate
CID 59035831
N-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]-2-methyl-8-phenyloctanamide
CID 59035858
tert-butyl N-benzyl-N-[6-[[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]amino]-5-methyl-6-oxohexyl]carbamate
CID 59035655
1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-4-[(2-oxo-4-phenyl-1,3-dioxa-2λ5-phosphacycloundec-2-yl)amino]pyrimidin-2-one
CID 142664759
N-[2-oxo-1-[(2S,4S)-2-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]pyrimidin-4-yl]acetamide
CID 11002465
4-(hydroxymethylamino)-1-(1,3-oxathiolan-5-yl)pyrimidin-2-one
CID 69105960
(1R,4aR,4bR,10aS)-N-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxamide
CID 59035642
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The IUPAC name of 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one (CID 10236293) is 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is CN(C)CNc1ccn(C2COC(CO)O2)c(=O)n1.
What is the InChIKey of 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The InChIKey is QRDYAGSSFCLZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-14(2)7-12-8-3-4-15(11(17)13-8)9-6-18-10(5-16)19-9/h3-4,9-10,16H,5-7H2,1-2H3,(H,12,13,17).
What are the key properties of 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one has a molecular weight of 270.29 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methylamino]-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is sourced from PubChem (CID 10236293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).