6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C17H22N4O — CID 3234236

IUPAC6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H22N4O/c1-14-4-2-3-5-15(14)16-12-17(20-13-19-16)18-6-7-21-8-10-22-11-9-21/h2-5,12-13H,6-11H2,1H3,(H,18,19,20)
InChIKeyVUYUUAPSDDCIDX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.20
Rot. Bonds5

About 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3234236) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3234236
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1ccccc1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H22N4O/c1-14-4-2-3-5-15(14)16-12-17(20-13-19-16)18-6-7-21-8-10-22-11-9-21/h2-5,12-13H,6-11H2,1H3,(H,18,19,20)
InChIKeyVUYUUAPSDDCIDX-UHFFFAOYSA-N
XLogP2.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3234236) is 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Cc1ccccc1-c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is VUYUUAPSDDCIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-4-2-3-5-15(14)16-12-17(20-13-19-16)18-6-7-21-8-10-22-11-9-21/h2-5,12-13H,6-11H2,1H3,(H,18,19,20).
What are the key properties of 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).