2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol

C24H29N5O2 — CID 44530119

IUPAC2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
SMILESOC(CNc1ccnc(Nc2cccc(CCN3CCOCC3)c2)n1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c30-22(20-6-2-1-3-7-20)18-26-23-9-11-25-24(28-23)27-21-8-4-5-19(17-21)10-12-29-13-15-31-16-14-29/h1-9,11,17,22,30H,10,12-16,18H2,(H2,25,26,27,28)
InChIKeyGJWCSIMTBFGMEE-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.24
Rot. Bonds9

About 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol

2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 44530119) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID44530119
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
SMILESOC(CNc1ccnc(Nc2cccc(CCN3CCOCC3)c2)n1)c1ccccc1
InChIInChI=1S/C24H29N5O2/c30-22(20-6-2-1-3-7-20)18-26-23-9-11-25-24(28-23)27-21-8-4-5-19(17-21)10-12-29-13-15-31-16-14-29/h1-9,11,17,22,30H,10,12-16,18H2,(H2,25,26,27,28)
InChIKeyGJWCSIMTBFGMEE-UHFFFAOYSA-N
XLogP3.24
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol (CID 44530119) is 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol is OC(CNc1ccnc(Nc2cccc(CCN3CCOCC3)c2)n1)c1ccccc1.
What is the InChIKey of 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is GJWCSIMTBFGMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-22(20-6-2-1-3-7-20)18-26-23-9-11-25-24(28-23)27-21-8-4-5-19(17-21)10-12-29-13-15-31-16-14-29/h1-9,11,17,22,30H,10,12-16,18H2,(H2,25,26,27,28).
What are the key properties of 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol?
2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 419.53 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 44530119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).