N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide

C11H18N4O2 — CID 158509981

IUPACN'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCC[C@@H](O)Cn1ccc(=O)nc1N=CN(C)C
InChIInChI=1S/C11H18N4O2/c1-4-9(16)7-15-6-5-10(17)13-11(15)12-8-14(2)3/h5-6,8-9,16H,4,7H2,1-3H3/t9-/m1/s1
InChIKeyVOFGBQLNJVLNLG-SECBINFHSA-N
MW238.29 g/mol
LogP0.24
Rot. Bonds5

About N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 158509981) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID158509981
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCC[C@@H](O)Cn1ccc(=O)nc1N=CN(C)C
InChIInChI=1S/C11H18N4O2/c1-4-9(16)7-15-6-5-10(17)13-11(15)12-8-14(2)3/h5-6,8-9,16H,4,7H2,1-3H3/t9-/m1/s1
InChIKeyVOFGBQLNJVLNLG-SECBINFHSA-N
XLogP0.24
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 158509981) is N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide is CC[C@@H](O)Cn1ccc(=O)nc1N=CN(C)C.
What is the InChIKey of N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is VOFGBQLNJVLNLG-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-9(16)7-15-6-5-10(17)13-11(15)12-8-14(2)3/h5-6,8-9,16H,4,7H2,1-3H3/t9-/m1/s1.
What are the key properties of N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 238.29 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(2R)-2-hydroxybutyl]-4-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 158509981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).