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

C10H13F3N4O — CID 175996838

IUPAC4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N[C@@H]2CCNC2)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)/t6-/m1/s1
InChIKeyOURDDZOFSKNXJA-ZCFIWIBFSA-N
MW262.23 g/mol
LogP1.28
Rot. Bonds3

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

4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175996838) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID175996838
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N[C@@H]2CCNC2)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)/t6-/m1/s1
InChIKeyOURDDZOFSKNXJA-ZCFIWIBFSA-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 175996838) is 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(N[C@@H]2CCNC2)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OURDDZOFSKNXJA-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of 4-methoxy-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-methoxy-N-[(3R)-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-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175996838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).