5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine

C24H32F3N5O3 — CID 165385756

IUPAC5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine
SMILESCOc1cnc(N)nc1OCC1CCC(N(CC(F)(F)F)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H32F3N5O3/c1-33-21-14-29-23(28)30-22(21)35-15-17-2-4-19(5-3-17)32(16-24(25,26)27)20-8-6-18(7-9-20)31-10-12-34-13-11-31/h6-9,14,17,19H,2-5,10-13,15-16H2,1H3,(H2,28,29,30)
InChIKeyMLWNPAQTAGTVHA-UHFFFAOYSA-N
MW495.55 g/mol
LogP3.91
Rot. Bonds8

About 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine

5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine (PubChem CID 165385756) has the molecular formula C24H32F3N5O3 and a molecular weight of 495.55 g/mol. Its IUPAC name is 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine
PubChem CID165385756
Molecular FormulaC24H32F3N5O3
Molecular Weight495.55 g/mol
Exact Mass495.25
IUPAC Name5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine
SMILESCOc1cnc(N)nc1OCC1CCC(N(CC(F)(F)F)c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H32F3N5O3/c1-33-21-14-29-23(28)30-22(21)35-15-17-2-4-19(5-3-17)32(16-24(25,26)27)20-8-6-18(7-9-20)31-10-12-34-13-11-31/h6-9,14,17,19H,2-5,10-13,15-16H2,1H3,(H2,28,29,30)
InChIKeyMLWNPAQTAGTVHA-UHFFFAOYSA-N
XLogP3.91
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
CID 175805445
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[1-(1,1,1-trifluoropropan-2-ylamino)piperidin-4-yl]methoxy]pyrimidin-2-amine
CID 167346795
2-N-(5-amino-2-cyclopropylphenyl)-5-chloro-4-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 141427246
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
CID 165385737
5-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 21290634
4-(oxan-4-ylmethoxy)quinazolin-2-amine
CID 80880152
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80815110
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-amine
CID 139395802

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine (CID 165385756) is 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine is COc1cnc(N)nc1OCC1CCC(N(CC(F)(F)F)c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine?
The InChIKey is MLWNPAQTAGTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O3/c1-33-21-14-29-23(28)30-22(21)35-15-17-2-4-19(5-3-17)32(16-24(25,26)27)20-8-6-18(7-9-20)31-10-12-34-13-11-31/h6-9,14,17,19H,2-5,10-13,15-16H2,1H3,(H2,28,29,30).
What are the key properties of 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine?
5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine has a molecular weight of 495.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine is sourced from PubChem (CID 165385756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).