4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C17H19F2N3O — CID 3244132

IUPAC4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C17H19F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,20,21,22)
InChIKeyPOEJNBCTRBLOCD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.98
Rot. Bonds5

About 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 3244132) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID3244132
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C17H19F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,20,21,22)
InChIKeyPOEJNBCTRBLOCD-UHFFFAOYSA-N
XLogP3.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 3244132) is 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is Cc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is POEJNBCTRBLOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11-4-6-12(7-5-11)14-9-15(16(18)19)22-17(21-14)20-10-13-3-2-8-23-13/h4-7,9,13,16H,2-3,8,10H2,1H3,(H,20,21,22).
What are the key properties of 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 319.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(4-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 3244132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).