N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

C13H20N4O5 — CID 69110851

IUPACN'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ccnc(=O)n1C1OC(CO)C(O)C1(C)O
InChIInChI=1S/C13H20N4O5/c1-13(21)10(19)8(6-18)22-11(13)17-9(15-7-16(2)3)4-5-14-12(17)20/h4-5,7-8,10-11,18-19,21H,6H2,1-3H3
InChIKeyBRIYTDRJNQWIKM-UHFFFAOYSA-N
MW312.33 g/mol
LogP-1.53
Rot. Bonds4

About N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 69110851) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID69110851
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1ccnc(=O)n1C1OC(CO)C(O)C1(C)O
InChIInChI=1S/C13H20N4O5/c1-13(21)10(19)8(6-18)22-11(13)17-9(15-7-16(2)3)4-5-14-12(17)20/h4-5,7-8,10-11,18-19,21H,6H2,1-3H3
InChIKeyBRIYTDRJNQWIKM-UHFFFAOYSA-N
XLogP-1.53
TPSA120.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 69110851) is N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1ccnc(=O)n1C1OC(CO)C(O)C1(C)O.
What is the InChIKey of N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is BRIYTDRJNQWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-13(21)10(19)8(6-18)22-11(13)17-9(15-7-16(2)3)4-5-14-12(17)20/h4-5,7-8,10-11,18-19,21H,6H2,1-3H3.
What are the key properties of N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 312.33 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 69110851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).