4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine

C16H17F2N3O — CID 2992799

IUPAC4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
SMILESCc1ccc(-c2cc(C(F)F)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H17F2N3O/c1-11-2-4-12(5-3-11)13-10-14(15(17)18)20-16(19-13)21-6-8-22-9-7-21/h2-5,10,15H,6-9H2,1H3
InChIKeyONNUGUUHIJYFMV-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.23
Rot. Bonds3

About 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine

4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine (PubChem CID 2992799) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
PubChem CID2992799
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
SMILESCc1ccc(-c2cc(C(F)F)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C16H17F2N3O/c1-11-2-4-12(5-3-11)13-10-14(15(17)18)20-16(19-13)21-6-8-22-9-7-21/h2-5,10,15H,6-9H2,1H3
InChIKeyONNUGUUHIJYFMV-UHFFFAOYSA-N
XLogP3.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
4-[4-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine
CID 1338553
[6-(4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]methanamine;hydrochloride
CID 82022744
4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 44824454
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
CID 50983209
4-[4-[2-(4-methylphenyl)imidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 174424268
N-(2-methylphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935530
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)-2-piperidin-1-ylpyrimidine
CID 171315672

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine (CID 2992799) is 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine is Cc1ccc(-c2cc(C(F)F)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
The InChIKey is ONNUGUUHIJYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-11-2-4-12(5-3-11)13-10-14(15(17)18)20-16(19-13)21-6-8-22-9-7-21/h2-5,10,15H,6-9H2,1H3.
What are the key properties of 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine?
4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine has a molecular weight of 305.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-6-(4-methylphenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 2992799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).