6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine

C16H22N4O — CID 3234296

IUPAC6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(-c2ccccc2CN(C)C)ncn1
InChIInChI=1S/C16H22N4O/c1-20(2)11-13-6-4-5-7-14(13)15-10-16(19-12-18-15)17-8-9-21-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,17,18,19)
InChIKeyFNOIWJKMPBIOGA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds7

About 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine

6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 3234296) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID3234296
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1cc(-c2ccccc2CN(C)C)ncn1
InChIInChI=1S/C16H22N4O/c1-20(2)11-13-6-4-5-7-14(13)15-10-16(19-12-18-15)17-8-9-21-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,17,18,19)
InChIKeyFNOIWJKMPBIOGA-UHFFFAOYSA-N
XLogP2.26
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine (CID 3234296) is 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1cc(-c2ccccc2CN(C)C)ncn1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is FNOIWJKMPBIOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20(2)11-13-6-4-5-7-14(13)15-10-16(19-12-18-15)17-8-9-21-3/h4-7,10,12H,8-9,11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine?
6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]phenyl]-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).