N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine

C9H16N4O — CID 63986819

IUPACN-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCOCCNC(CN)c1ccncn1
InChIInChI=1S/C9H16N4O/c1-14-5-4-12-9(6-10)8-2-3-11-7-13-8/h2-3,7,9,12H,4-6,10H2,1H3
InChIKeyAOYAFUQSTMUJPV-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.29
Rot. Bonds6

About N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine

N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63986819) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63986819
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCOCCNC(CN)c1ccncn1
InChIInChI=1S/C9H16N4O/c1-14-5-4-12-9(6-10)8-2-3-11-7-13-8/h2-3,7,9,12H,4-6,10H2,1H3
InChIKeyAOYAFUQSTMUJPV-UHFFFAOYSA-N
XLogP-0.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986807
N-(4-fluorophenyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 65377912
N-(4-bromo-3,5-dimethylphenyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 107573279
N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
CID 114416155
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209
N-cyclohexyl-1-pyrimidin-4-ylethane-1,2-diamine
CID 65384316
4,4-dimethyl-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 63988767
1-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 112617875
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66133270
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
N-[2-(5-ethyl-2-pyridinyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 79748221
N-[2-(4-chlorophenyl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63988984

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine (CID 63986819) is N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine is COCCNC(CN)c1ccncn1.
What is the InChIKey of N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is AOYAFUQSTMUJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-14-5-4-12-9(6-10)8-2-3-11-7-13-8/h2-3,7,9,12H,4-6,10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63986819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).