4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4O — CID 175996840

IUPAC4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCNC2)ncc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-18-8-7(10(11,12)13)5-15-9(17-8)16-6-2-3-14-4-6/h5-6,14H,2-4H2,1H3,(H,15,16,17)
InChIKeyOURDDZOFSKNXJA-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.28
Rot. Bonds3

About 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine

4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175996840) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID175996840
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(NC2CCNC2)ncc1C(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-18-8-7(10(11,12)13)5-15-9(17-8)16-6-2-3-14-4-6/h5-6,14H,2-4H2,1H3,(H,15,16,17)
InChIKeyOURDDZOFSKNXJA-UHFFFAOYSA-N
XLogP1.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
2,4-Dimethoxy-5-(trifluoromethyl)pyrimidine
CID 21732778
2-Piperidyl-4-methoxy-5-fluoropyrimidine
CID 129785523
5-fluoro-4-methoxy-N-[rac-(3R,4R)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]pyrimidin-2-amine
CID 122557027
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 125446685
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128972810
(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 164631265
5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 164632907
N-ethyl-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165142
4-Methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 90331357
4-Methoxy-5-(trifluoromethyl)pyrimidine
CID 100024360
C-[4-(2,2-Difluoro-propoxy)-pyrimidin-5-yl]-methylamine
CID 118162151

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine (CID 175996840) is 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(NC2CCNC2)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OURDDZOFSKNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-18-8-7(10(11,12)13)5-15-9(17-8)16-6-2-3-14-4-6/h5-6,14H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine?
4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175996840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).