6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine

C15H17F2N3O — CID 115915961

IUPAC6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17F2N3O/c1-2-8-18-13-9-14(21-10-12(16)17)20-15(19-13)11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3,(H,18,19,20)
InChIKeyYSCVLTIPHZTNHX-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.61
Rot. Bonds7

About 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine

6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine (PubChem CID 115915961) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
PubChem CID115915961
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)F)nc(-c2ccccc2)n1
InChIInChI=1S/C15H17F2N3O/c1-2-8-18-13-9-14(21-10-12(16)17)20-15(19-13)11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3,(H,18,19,20)
InChIKeyYSCVLTIPHZTNHX-UHFFFAOYSA-N
XLogP3.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-phenyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 115915860
2-phenyl-6-prop-2-enoxy-N-propylpyrimidin-4-amine
CID 115915808
6-(2,2-difluoroethoxy)-4-N-propylpyrimidine-2,4-diamine
CID 82010674
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
N-ethyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915870
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
[6-(2-methylpentoxy)-2-phenylpyrimidin-4-yl]hydrazine
CID 103286504
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
6-butoxy-N-methyl-2-phenylpyrimidin-4-amine
CID 112559898
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine (CID 115915961) is 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine is CCCNc1cc(OCC(F)F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is YSCVLTIPHZTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-2-8-18-13-9-14(21-10-12(16)17)20-15(19-13)11-6-4-3-5-7-11/h3-7,9,12H,2,8,10H2,1H3,(H,18,19,20).
What are the key properties of 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine?
6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 293.32 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-2-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115915961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).