4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

C23H33N5O3 — CID 165385710

IUPAC4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCC(CN)CC1
InChIInChI=1S/C23H33N5O3/c1-29-21-15-25-23(27-22(21)31-16-18-4-2-17(14-24)3-5-18)26-19-6-8-20(9-7-19)28-10-12-30-13-11-28/h6-9,15,17-18H,2-5,10-14,16,24H2,1H3,(H,25,26,27)
InChIKeyZUBXKJXXTIANFT-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.21
Rot. Bonds8

About 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine

4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 165385710) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID165385710
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCC(CN)CC1
InChIInChI=1S/C23H33N5O3/c1-29-21-15-25-23(27-22(21)31-16-18-4-2-17(14-24)3-5-18)26-19-6-8-20(9-7-19)28-10-12-30-13-11-28/h6-9,15,17-18H,2-5,10-14,16,24H2,1H3,(H,25,26,27)
InChIKeyZUBXKJXXTIANFT-UHFFFAOYSA-N
XLogP3.21
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
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

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-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
CID 175805445
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[1-(1,1,1-trifluoropropan-2-ylamino)piperidin-4-yl]methoxy]pyrimidin-2-amine
CID 167346795
5-methoxy-4-[[4-[4-morpholin-4-yl-N-(2,2,2-trifluoroethyl)anilino]cyclohexyl]methoxy]pyrimidin-2-amine
CID 165385756
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 117077407
4-(4-aminophenyl)sulfanyl-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;ethane;molecular hydrogen
CID 143728275
2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
CID 165385737
1-[[4-(aminomethyl)cyclohexyl]methyl]-3-(4-morpholin-4-ylphenyl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 144944093
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 155527161
4-[(3,3-difluoropiperidin-4-yl)methoxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385913
5-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-4-methylphenoxy)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 147209298

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 165385710) is 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is COc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1OCC1CCC(CN)CC1.
What is the InChIKey of 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is ZUBXKJXXTIANFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-29-21-15-25-23(27-22(21)31-16-18-4-2-17(14-24)3-5-18)26-19-6-8-20(9-7-19)28-10-12-30-13-11-28/h6-9,15,17-18H,2-5,10-14,16,24H2,1H3,(H,25,26,27).
What are the key properties of 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine?
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 427.55 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 165385710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).