4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine

C22H24N4O — CID 50981857

IUPAC4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(NCC3CCOCC3)ncc2-c2ccncc2)cc1
InChIInChI=1S/C22H24N4O/c1-16-2-4-19(5-3-16)21-20(18-6-10-23-11-7-18)15-25-22(26-21)24-14-17-8-12-27-13-9-17/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,24,25,26)
InChIKeyWHINSNMOVIKJQQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.35
Rot. Bonds5

About 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine

4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 50981857) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID50981857
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(NCC3CCOCC3)ncc2-c2ccncc2)cc1
InChIInChI=1S/C22H24N4O/c1-16-2-4-19(5-3-16)21-20(18-6-10-23-11-7-18)15-25-22(26-21)24-14-17-8-12-27-13-9-17/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,24,25,26)
InChIKeyWHINSNMOVIKJQQ-UHFFFAOYSA-N
XLogP4.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine (CID 50981857) is 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine is Cc1ccc(-c2nc(NCC3CCOCC3)ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is WHINSNMOVIKJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-2-4-19(5-3-16)21-20(18-6-10-23-11-7-18)15-25-22(26-21)24-14-17-8-12-27-13-9-17/h2-7,10-11,15,17H,8-9,12-14H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine?
4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(oxan-4-ylmethyl)-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 50981857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).