4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline

C24H24N4OS — CID 58228898

IUPAC4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline
SMILESCc1ccc(N)cc1-c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C24H24N4OS/c1-16-2-5-18(25)13-20(16)21-15-30-22-14-26-23(27-24(21)22)12-17-3-6-19(7-4-17)28-8-10-29-11-9-28/h2-7,13-15H,8-12,25H2,1H3
InChIKeyHZDLKSZIHKVGJM-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.68
Rot. Bonds4

About 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline

4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline (PubChem CID 58228898) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline.

Molecular Properties

Compound Name4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline
PubChem CID58228898
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline
SMILESCc1ccc(N)cc1-c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12
InChIInChI=1S/C24H24N4OS/c1-16-2-5-18(25)13-20(16)21-15-30-22-14-26-23(27-24(21)22)12-17-3-6-19(7-4-17)28-8-10-29-11-9-28/h2-7,13-15H,8-12,25H2,1H3
InChIKeyHZDLKSZIHKVGJM-UHFFFAOYSA-N
XLogP4.68
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[5-methyl-2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]sulfanylaniline
CID 158520670
N-(cyanomethyl)-4-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]benzamide
CID 58228974
1-ethyl-3-[2-methoxy-4-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]phenyl]urea
CID 58228944
methane;4-methyl-5-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 159848365
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
CID 90408360
4-[4-[[7-[4-[(sulfinoamino)methyl]phenyl]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]morpholine
CID 146619869
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]aniline
CID 90456484
5-[7-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-4-morpholin-4-ylphenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 140531026
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
(E)-4-[4-[5-methyl-2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 149173125

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline?
The IUPAC name of 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline (CID 58228898) is 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline.
What is the SMILES notation for 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline?
The canonical SMILES for 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline is Cc1ccc(N)cc1-c1csc2cnc(Cc3ccc(N4CCOCC4)cc3)nc12.
What is the InChIKey of 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline?
The InChIKey is HZDLKSZIHKVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-16-2-5-18(25)13-20(16)21-15-30-22-14-26-23(27-24(21)22)12-17-3-6-19(7-4-17)28-8-10-29-11-9-28/h2-7,13-15H,8-12,25H2,1H3.
What are the key properties of 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline?
4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline has a molecular weight of 416.55 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[(4-morpholin-4-ylphenyl)methyl]thieno[3,2-d]pyrimidin-7-yl]aniline is sourced from PubChem (CID 58228898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).