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

C17H22F6N4O5 — CID 155848276

IUPACN-cyclopentyl-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(NC2CCCC2)nc(C2COCCN2)n1
InChIInChI=1S/C13H20N4O.2C2HF3O2/c1-2-4-10(3-1)16-12-5-6-15-13(17-12)11-9-18-8-7-14-11;2*3-2(4,5)1(6)7/h5-6,10-11,14H,1-4,7-9H2,(H,15,16,17);2*(H,6,7)
InChIKeyJXQMDVFDMQZQCF-UHFFFAOYSA-N
MW476.37 g/mol
LogP2.76
Rot. Bonds3

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

N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155848276) has the molecular formula C17H22F6N4O5 and a molecular weight of 476.37 g/mol. Its IUPAC name is N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155848276
Molecular FormulaC17H22F6N4O5
Molecular Weight476.37 g/mol
Exact Mass476.15
IUPAC NameN-cyclopentyl-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(NC2CCCC2)nc(C2COCCN2)n1
InChIInChI=1S/C13H20N4O.2C2HF3O2/c1-2-4-10(3-1)16-12-5-6-15-13(17-12)11-9-18-8-7-14-11;2*3-2(4,5)1(6)7/h5-6,10-11,14H,1-4,7-9H2,(H,15,16,17);2*(H,6,7)
InChIKeyJXQMDVFDMQZQCF-UHFFFAOYSA-N
XLogP2.76
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155539096
2-N-(2,2-dimethylpropyl)-4-N-pyrrolidin-3-ylpyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 155552340
2-N-(2,2-dimethylpropyl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 155538988
4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;tris(2,2,2-trifluoroacetic acid)
CID 155559502
ethyl 4-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 164643114
2-[4-[(3R,5S)-4-carbamimidoyl-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate;2,2,2-trifluoroacetic acid
CID 22088619
1-Pyrimidin-4-yl-piperidin-4-ylamine trifluoroacetate
CID 22394384
Ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate
CID 54055633
4-Piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595101
(3S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 87937395
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 170306091
2-Methyl-4-(3-methylpiperazin-1-yl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306095

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) (CID 155848276) is N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-cyclopentyl-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(NC2CCCC2)nc(C2COCCN2)n1.
What is the InChIKey of N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JXQMDVFDMQZQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2C2HF3O2/c1-2-4-10(3-1)16-12-5-6-15-13(17-12)11-9-18-8-7-14-11;2*3-2(4,5)1(6)7/h5-6,10-11,14H,1-4,7-9H2,(H,15,16,17);2*(H,6,7).
What are the key properties of N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)?
N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 476.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-morpholin-3-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155848276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).