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

C24H31N5OS — CID 133363210

IUPAC1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCCC(Nc4ccccc4)C3)c2c1C
InChIInChI=1S/C24H31N5OS/c1-17-18(2)31-24-22(17)23(26-21(27-24)16-28-11-13-30-14-12-28)29-10-6-9-20(15-29)25-19-7-4-3-5-8-19/h3-5,7-8,20,25H,6,9-16H2,1-2H3
InChIKeyQVMFKBLVHUOVNK-UHFFFAOYSA-N
MW437.61 g/mol
LogP4.22
Rot. Bonds5

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

1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine (PubChem CID 133363210) has the molecular formula C24H31N5OS and a molecular weight of 437.61 g/mol. Its IUPAC name is 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine.

Molecular Properties

Compound Name1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine
PubChem CID133363210
Molecular FormulaC24H31N5OS
Molecular Weight437.61 g/mol
Exact Mass437.22
IUPAC Name1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCCC(Nc4ccccc4)C3)c2c1C
InChIInChI=1S/C24H31N5OS/c1-17-18(2)31-24-22(17)23(26-21(27-24)16-28-11-13-30-14-12-28)29-10-6-9-20(15-29)25-19-7-4-3-5-8-19/h3-5,7-8,20,25H,6,9-16H2,1-2H3
InChIKeyQVMFKBLVHUOVNK-UHFFFAOYSA-N
XLogP4.22
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607766
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363705
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
4-[[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069716
[4-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16558708
4-[[4-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 167839569
4-[[5,6-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069761
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 133495355
4-[[5,6-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 71905460
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133322669

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine?
The IUPAC name of 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine (CID 133363210) is 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine.
What is the SMILES notation for 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine?
The canonical SMILES for 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine is Cc1sc2nc(CN3CCOCC3)nc(N3CCCC(Nc4ccccc4)C3)c2c1C.
What is the InChIKey of 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine?
The InChIKey is QVMFKBLVHUOVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5OS/c1-17-18(2)31-24-22(17)23(26-21(27-24)16-28-11-13-30-14-12-28)29-10-6-9-20(15-29)25-19-7-4-3-5-8-19/h3-5,7-8,20,25H,6,9-16H2,1-2H3.
What are the key properties of 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine?
1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine has a molecular weight of 437.61 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-phenylpiperidin-3-amine is sourced from PubChem (CID 133363210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).