N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

C12H16F5N3O — CID 80989859

IUPACN,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C12H16F5N3O/c1-4-8-19-9(18-5-2)7(3)10(20-8)21-6-11(13,14)12(15,16)17/h4-6H2,1-3H3,(H,18,19,20)
InChIKeyLGCHBGDPTCRYSG-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.36
Rot. Bonds6

About N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (PubChem CID 80989859) has the molecular formula C12H16F5N3O and a molecular weight of 313.27 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
PubChem CID80989859
Molecular FormulaC12H16F5N3O
Molecular Weight313.27 g/mol
Exact Mass313.12
IUPAC NameN,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(OCC(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C12H16F5N3O/c1-4-8-19-9(18-5-2)7(3)10(20-8)21-6-11(13,14)12(15,16)17/h4-6H2,1-3H3,(H,18,19,20)
InChIKeyLGCHBGDPTCRYSG-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.36
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,2-diethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80989328
2-ethyl-5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80988030
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
6-(2-ethoxyethoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989417
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
[2-ethyl-5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-yl]hydrazine
CID 81000943
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
6-(3,5-dimethylphenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80989084
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (CID 80989859) is N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is CCNc1nc(CC)nc(OCC(F)(F)C(F)(F)F)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The InChIKey is LGCHBGDPTCRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F5N3O/c1-4-8-19-9(18-5-2)7(3)10(20-8)21-6-11(13,14)12(15,16)17/h4-6H2,1-3H3,(H,18,19,20).
What are the key properties of N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine has a molecular weight of 313.27 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).