N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide

C10H16N4O3 — CID 153365611

IUPACN'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(=O)ccn1C[C@H](O)CO
InChIInChI=1S/C10H16N4O3/c1-13(2)7-11-10-12-9(17)3-4-14(10)5-8(16)6-15/h3-4,7-8,15-16H,5-6H2,1-2H3/b11-7+/t8-/m0/s1
InChIKeyLKKCTFUASBENDL-LBTPYSACSA-N
MW240.26 g/mol
LogP-1.18
Rot. Bonds5

About N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 153365611) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID153365611
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(=O)ccn1C[C@H](O)CO
InChIInChI=1S/C10H16N4O3/c1-13(2)7-11-10-12-9(17)3-4-14(10)5-8(16)6-15/h3-4,7-8,15-16H,5-6H2,1-2H3/b11-7+/t8-/m0/s1
InChIKeyLKKCTFUASBENDL-LBTPYSACSA-N
XLogP-1.18
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 158509980
2-Amino-1-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 163296378
2-amino-1-[(2R)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063051
2-amino-1-[(2S)-2,3-dihydroxypropyl]pyrimidin-4-one
CID 167063085
2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one
CID 169242772
2-Amino-1-(3-hydroxy-2-methoxypropyl)pyrimidin-4-one
CID 170584823
3-(2,3-Dihydroxypropyl)pyrimidin-4-one
CID 80718904
2-amino-1-[(2R)-2-hydroxybutyl]pyrimidin-4-one
CID 158509979
N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
CID 158509981

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 153365611) is N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(=O)ccn1C[C@H](O)CO.
What is the InChIKey of N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is LKKCTFUASBENDL-LBTPYSACSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(2)7-11-10-12-9(17)3-4-14(10)5-8(16)6-15/h3-4,7-8,15-16H,5-6H2,1-2H3/b11-7+/t8-/m0/s1.
What are the key properties of N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 240.26 g/mol, XLogP of -1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2S)-2,3-dihydroxypropyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 153365611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).