N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine

C14H17N3O — CID 3234189

IUPACN-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2ccccc2C)n1
InChIInChI=1S/C14H17N3O/c1-11-5-3-4-6-12(11)14-16-8-7-13(17-14)15-9-10-18-2/h3-8H,9-10H2,1-2H3,(H,15,16,17)
InChIKeyLYIBYEYPCCNWRK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds5

About N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine

N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 3234189) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine
PubChem CID3234189
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2ccccc2C)n1
InChIInChI=1S/C14H17N3O/c1-11-5-3-4-6-12(11)14-16-8-7-13(17-14)15-9-10-18-2/h3-8H,9-10H2,1-2H3,(H,15,16,17)
InChIKeyLYIBYEYPCCNWRK-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine (CID 3234189) is N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine is COCCNc1ccnc(-c2ccccc2C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is LYIBYEYPCCNWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-5-3-4-6-12(11)14-16-8-7-13(17-14)15-9-10-18-2/h3-8H,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine?
N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3234189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).