N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C24H30N4O3S — CID 17482448

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(CNc2ncnc3sc4c(c23)CCCC4)N2CCOCC2)cc1OC
InChIInChI=1S/C24H30N4O3S/c1-29-19-8-7-16(13-20(19)30-2)18(28-9-11-31-12-10-28)14-25-23-22-17-5-3-4-6-21(17)32-24(22)27-15-26-23/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,25,26,27)
InChIKeyYUZYHGMQKHSCIF-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.07
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 17482448) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID17482448
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C(CNc2ncnc3sc4c(c23)CCCC4)N2CCOCC2)cc1OC
InChIInChI=1S/C24H30N4O3S/c1-29-19-8-7-16(13-20(19)30-2)18(28-9-11-31-12-10-28)14-25-23-22-17-5-3-4-6-21(17)32-24(22)27-15-26-23/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,25,26,27)
InChIKeyYUZYHGMQKHSCIF-UHFFFAOYSA-N
XLogP4.07
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(3-methyl-2-morpholin-4-ylbutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 18156196
N-[2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[3,2-d]pyrimidin-4-amine
CID 18168079
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 2466329
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9031517
N-[2-(4-methyl-1,2,4-triazol-3-yl)propyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 86818810
(1R)-1-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)ethanol
CID 2576158
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propan-2-ol
CID 2926596
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 51134636
2-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylethanamine
CID 119110866
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 26012673
(E)-3-(3,4-dimethoxyphenyl)-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)prop-2-enamide
CID 2308075

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 17482448) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is COc1ccc(C(CNc2ncnc3sc4c(c23)CCCC4)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is YUZYHGMQKHSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-29-19-8-7-16(13-20(19)30-2)18(28-9-11-31-12-10-28)14-25-23-22-17-5-3-4-6-21(17)32-24(22)27-15-26-23/h7-8,13,15,18H,3-6,9-12,14H2,1-2H3,(H,25,26,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 454.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17482448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).