2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C22H21F6N5O6 — CID 155832288

IUPAC2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(Nc2ccnc(C3COCCN3Cc3ccoc3)n2)nc1
InChIInChI=1S/C18H19N5O2.2C2HF3O2/c1-2-6-19-16(3-1)21-17-4-7-20-18(22-17)15-13-25-10-8-23(15)11-14-5-9-24-12-14;2*3-2(4,5)1(6)7/h1-7,9,12,15H,8,10-11,13H2,(H,19,20,21,22);2*(H,6,7)
InChIKeyDEZGNYATHGNWNL-UHFFFAOYSA-N
MW565.43 g/mol
LogP4.05
Rot. Bonds5

About 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)

2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832288) has the molecular formula C22H21F6N5O6 and a molecular weight of 565.43 g/mol. Its IUPAC name is 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155832288
Molecular FormulaC22H21F6N5O6
Molecular Weight565.43 g/mol
Exact Mass565.14
IUPAC Name2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(Nc2ccnc(C3COCCN3Cc3ccoc3)n2)nc1
InChIInChI=1S/C18H19N5O2.2C2HF3O2/c1-2-6-19-16(3-1)21-17-4-7-20-18(22-17)15-13-25-10-8-23(15)11-14-5-9-24-12-14;2*3-2(4,5)1(6)7/h1-7,9,12,15H,8,10-11,13H2,(H,19,20,21,22);2*(H,6,7)
InChIKeyDEZGNYATHGNWNL-UHFFFAOYSA-N
XLogP4.05
TPSA150.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.43
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536
2-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716
N-(cyclopropylmethyl)-2-[(3R)-4-(furan-3-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486517
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
CID 131644722
3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155827817
N-cyclopentyl-2-[4-(oxan-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846866
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126801081
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
N-(2-methoxyethyl)-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840150
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
2-(4-cyclopentylmorpholin-3-yl)-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840555
N-(cyclopropylmethyl)-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487233

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 155832288) is 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(Nc2ccnc(C3COCCN3Cc3ccoc3)n2)nc1.
What is the InChIKey of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DEZGNYATHGNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.2C2HF3O2/c1-2-6-19-16(3-1)21-17-4-7-20-18(22-17)15-13-25-10-8-23(15)11-14-5-9-24-12-14;2*3-2(4,5)1(6)7/h1-7,9,12,15H,8,10-11,13H2,(H,19,20,21,22);2*(H,6,7).
What are the key properties of 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 565.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).