N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

C14H23F2N3O — CID 82006627

IUPACN-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(C(C)C)ncc1OCC(F)F
InChIInChI=1S/C14H23F2N3O/c1-9(2)5-17-6-11-12(20-8-13(15)16)7-18-14(19-11)10(3)4/h7,9-10,13,17H,5-6,8H2,1-4H3
InChIKeyIWFJBJMTWHCBJF-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.99
Rot. Bonds8

About N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82006627) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID82006627
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC NameN-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(C(C)C)ncc1OCC(F)F
InChIInChI=1S/C14H23F2N3O/c1-9(2)5-17-6-11-12(20-8-13(15)16)7-18-14(19-11)10(3)4/h7,9-10,13,17H,5-6,8H2,1-4H3
InChIKeyIWFJBJMTWHCBJF-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-(2-methylbutan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62292568
N-methyl-1-[5-(2-methylpentoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 103285362
N-[[5-(2-methoxyethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
CID 62291090
N-[[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]propan-2-amine
CID 62292264
N-[(5-cyclobutyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62287352
N-[[2-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]ethanamine
CID 62297528
N-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63057486
N-[(5-cyclopentyloxy-2-propan-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 62290994
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[5-(oxolan-3-yloxy)-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
CID 63558504
1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 63272979
1-[5-(2-cyclopropylethoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 106205475

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine (CID 82006627) is N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(C(C)C)ncc1OCC(F)F.
What is the InChIKey of N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is IWFJBJMTWHCBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-9(2)5-17-6-11-12(20-8-13(15)16)7-18-14(19-11)10(3)4/h7,9-10,13,17H,5-6,8H2,1-4H3.
What are the key properties of N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxy)-2-propan-2-ylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82006627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).