N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C11H14F3N3O2 — CID 106210003

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOc1ncnc(OC)c1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3O2/c1-18-8-7(9(19-2)16-6-15-8)5-17-10(3-4-10)11(12,13)14/h6,17H,3-5H2,1-2H3
InChIKeyRRVJDMWYPJZMSR-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.68
Rot. Bonds5

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210003) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210003
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOc1ncnc(OC)c1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3O2/c1-18-8-7(9(19-2)16-6-15-8)5-17-10(3-4-10)11(12,13)14/h6,17H,3-5H2,1-2H3
InChIKeyRRVJDMWYPJZMSR-UHFFFAOYSA-N
XLogP1.68
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210003) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is COc1ncnc(OC)c1CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is RRVJDMWYPJZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-18-8-7(9(19-2)16-6-15-8)5-17-10(3-4-10)11(12,13)14/h6,17H,3-5H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 277.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).