5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine

C11H15F4N3O — CID 80868216

IUPAC5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-3-4-16-10-17-5-7(2)8(18-10)19-6-11(14,15)9(12)13/h5,9H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyMBWCMIILDMWMMB-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.89
Rot. Bonds7

About 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine

5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (PubChem CID 80868216) has the molecular formula C11H15F4N3O and a molecular weight of 281.25 g/mol. Its IUPAC name is 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
PubChem CID80868216
Molecular FormulaC11H15F4N3O
Molecular Weight281.25 g/mol
Exact Mass281.12
IUPAC Name5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
SMILESCCCNc1ncc(C)c(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C11H15F4N3O/c1-3-4-16-10-17-5-7(2)8(18-10)19-6-11(14,15)9(12)13/h5,9H,3-4,6H2,1-2H3,(H,16,17,18)
InChIKeyMBWCMIILDMWMMB-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.89
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

4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331237
4-[2-(dimethylamino)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80871082
4-[2-[di(propan-2-yl)amino]ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 115506001
4-[2-(2-methoxyethoxy)ethoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 104568288
4-(5-fluoro-2-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 102989227
4-(3,4-difluorophenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875789
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
CID 80861307
4-(2,5-dimethylpyrazol-3-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 81346874
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine (CID 80868216) is 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is CCCNc1ncc(C)c(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
The InChIKey is MBWCMIILDMWMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F4N3O/c1-3-4-16-10-17-5-7(2)8(18-10)19-6-11(14,15)9(12)13/h5,9H,3-4,6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine?
5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine has a molecular weight of 281.25 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-4-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine is sourced from PubChem (CID 80868216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).