N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)

C16H20F6N4O5 — CID 155826082

IUPACN-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(NC2CCC2)nc(C2COCCN2)n1
InChIInChI=1S/C12H18N4O.2C2HF3O2/c1-2-9(3-1)15-11-4-5-14-12(16-11)10-8-17-7-6-13-10;2*3-2(4,5)1(6)7/h4-5,9-10,13H,1-3,6-8H2,(H,14,15,16);2*(H,6,7)
InChIKeyLVDFEQYQEGCQIC-UHFFFAOYSA-N
MW462.35 g/mol
LogP2.37
Rot. Bonds3

About N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)

N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155826082) has the molecular formula C16H20F6N4O5 and a molecular weight of 462.35 g/mol. Its IUPAC name is N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155826082
Molecular FormulaC16H20F6N4O5
Molecular Weight462.35 g/mol
Exact Mass462.13
IUPAC NameN-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(NC2CCC2)nc(C2COCCN2)n1
InChIInChI=1S/C12H18N4O.2C2HF3O2/c1-2-9(3-1)15-11-4-5-14-12(16-11)10-8-17-7-6-13-10;2*3-2(4,5)1(6)7/h4-5,9-10,13H,1-3,6-8H2,(H,14,15,16);2*(H,6,7)
InChIKeyLVDFEQYQEGCQIC-UHFFFAOYSA-N
XLogP2.37
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclobutyl-2-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 97484647
2-morpholin-3-yl-N-(oxan-4-yl)pyrimidin-4-amine
CID 131639803
N-cyclobutyl-2-[4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 171695745
N-cyclopentyl-2-[4-(oxan-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846866
N-(cyclopropylmethyl)-2-morpholin-3-ylpyrimidin-4-amine;dihydrochloride
CID 155856046
3-[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]morpholine
CID 116901807
2-(4-cyclopentylmorpholin-3-yl)-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155840555
3-[4-(3-fluorophenyl)pyrimidin-2-yl]morpholine
CID 116901814
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478
2-[(2S)-pyrrolidin-2-yl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 172788973
2-[[4-(oxan-3-ylamino)pyrimidin-2-yl]amino]acetic acid
CID 122047247
N-cyclobutyl-2-[(3R)-4-(oxan-4-yl)morpholin-3-yl]pyrimidin-4-amine
CID 97486462

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 155826082) is N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(NC2CCC2)nc(C2COCCN2)n1.
What is the InChIKey of N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LVDFEQYQEGCQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2C2HF3O2/c1-2-9(3-1)15-11-4-5-14-12(16-11)10-8-17-7-6-13-10;2*3-2(4,5)1(6)7/h4-5,9-10,13H,1-3,6-8H2,(H,14,15,16);2*(H,6,7).
What are the key properties of N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 462.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155826082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).