N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine

C9H15N3O — CID 64867710

IUPACN-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
SMILESCOCCNCCc1ccncn1
InChIInChI=1S/C9H15N3O/c1-13-7-6-10-4-2-9-3-5-11-8-12-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyKDQNBLNJSTTXAL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.26
Rot. Bonds6

About N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine

N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine (PubChem CID 64867710) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
PubChem CID64867710
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine
SMILESCOCCNCCc1ccncn1
InChIInChI=1S/C9H15N3O/c1-13-7-6-10-4-2-9-3-5-11-8-12-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyKDQNBLNJSTTXAL-UHFFFAOYSA-N
XLogP0.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
2-(2-methoxyethoxy)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62747851
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187
4-propylpyrimidine
CID 18996562
2-methoxy-2-methyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 104759454
methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
N-[(4,6-dimethyl-2-pyrimidin-4-ylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 63989399
1-methoxy-N-propyl-3-pyrimidin-4-ylpropan-2-amine
CID 63197559
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 79763577
2-methoxy-N-[(6-pyrimidin-4-ylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80651407
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
CID 79598410
N-(2-methoxyethyl)-4-methyl-5-pyridin-4-ylpent-3-en-1-amine
CID 79606913

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine (CID 64867710) is N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine is COCCNCCc1ccncn1.
What is the InChIKey of N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine?
The InChIKey is KDQNBLNJSTTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-7-6-10-4-2-9-3-5-11-8-12-9/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine?
N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pyrimidin-4-ylethanamine is sourced from PubChem (CID 64867710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).