N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C24H27FN6OS — CID 92756067

IUPACN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(N[C@@H](c3ccc(F)cc3)c3nccn3C)c2c1C
InChIInChI=1S/C24H27FN6OS/c1-15-16(2)33-24-20(15)22(27-19(28-24)14-31-10-12-32-13-11-31)29-21(23-26-8-9-30(23)3)17-4-6-18(25)7-5-17/h4-9,21H,10-14H2,1-3H3,(H,27,28,29)/t21-/m0/s1
InChIKeyXRCIUCFFYGDPOJ-NRFANRHFSA-N
MW466.59 g/mol
LogP4.21
Rot. Bonds6

About N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 92756067) has the molecular formula C24H27FN6OS and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID92756067
Molecular FormulaC24H27FN6OS
Molecular Weight466.59 g/mol
Exact Mass466.20
IUPAC NameN-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(N[C@@H](c3ccc(F)cc3)c3nccn3C)c2c1C
InChIInChI=1S/C24H27FN6OS/c1-15-16(2)33-24-20(15)22(27-19(28-24)14-31-10-12-32-13-11-31)29-21(23-26-8-9-30(23)3)17-4-6-18(25)7-5-17/h4-9,21H,10-14H2,1-3H3,(H,27,28,29)/t21-/m0/s1
InChIKeyXRCIUCFFYGDPOJ-NRFANRHFSA-N
XLogP4.21
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(2-{[4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-yl]amino}ethyl)amino]ethan-1-ol
CID 25263293
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
6-Benzyl-2-(1-methyl-1H-imidazol-4-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275820
2-(1-(2-morpholinobenzyl)-4-phenyl-1H-imidazol-5-yl)thiazolo[5,4-d]pyrimidin-7-amine
CID 45375946
N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 73053622
N-(2-ethyl-6-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 117628557
(2-Morpholin-4-yl-ethyl)-(5-p-tolyl-thieno[2,3-d]pyrimidin-4-yl)-amine
CID 1147018
5,6-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2547028
4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine
CID 72196728
(3R)-4-[2-(1H-indol-4-yl)-5-[(3S)-3-methylmorpholin-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 155561110
N-methyl-1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 156018504
4-(10-Pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine
CID 4882134

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 92756067) is N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](c3ccc(F)cc3)c3nccn3C)c2c1C.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XRCIUCFFYGDPOJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27FN6OS/c1-15-16(2)33-24-20(15)22(27-19(28-24)14-31-10-12-32-13-11-31)29-21(23-26-8-9-30(23)3)17-4-6-18(25)7-5-17/h4-9,21H,10-14H2,1-3H3,(H,27,28,29)/t21-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 466.59 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 92756067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).