N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine

C11H14F5N3O — CID 80963004

IUPACN-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(OCC(F)(F)C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C11H14F5N3O/c1-6(2)9-18-7(17-3)4-8(19-9)20-5-10(12,13)11(14,15)16/h4,6H,5H2,1-3H3,(H,17,18,19)
InChIKeyRYEGWILNXHPBTC-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine

N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80963004) has the molecular formula C11H14F5N3O and a molecular weight of 299.24 g/mol. Its IUPAC name is N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80963004
Molecular FormulaC11H14F5N3O
Molecular Weight299.24 g/mol
Exact Mass299.11
IUPAC NameN-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(OCC(F)(F)C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C11H14F5N3O/c1-6(2)9-18-7(17-3)4-8(19-9)20-5-10(12,13)11(14,15)16/h4,6H,5H2,1-3H3,(H,17,18,19)
InChIKeyRYEGWILNXHPBTC-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774661
N-methyl-2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80962688
6-(furan-2-ylmethoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966171
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
4-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241794
6-(2-methoxyphenoxy)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966343
4-chloro-2-propan-2-yl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidine
CID 80949502
2,2-difluoro-3-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 106179429
N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453924
N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80877318
[2-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]oxyphenyl]methanol
CID 80962451
6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952608

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80963004) is N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine is CNc1cc(OCC(F)(F)C(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RYEGWILNXHPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F5N3O/c1-6(2)9-18-7(17-3)4-8(19-9)20-5-10(12,13)11(14,15)16/h4,6H,5H2,1-3H3,(H,17,18,19).
What are the key properties of N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 299.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80963004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).