2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C17H19N5O2S2 — CID 9022960

IUPAC2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1sc2nc(CN3CCOCC3)nc(Sc3nccc(=O)[nH]3)c2c1C
InChIInChI=1S/C17H19N5O2S2/c1-10-11(2)25-15-14(10)16(26-17-18-4-3-13(23)21-17)20-12(19-15)9-22-5-7-24-8-6-22/h3-4H,5-9H2,1-2H3,(H,18,21,23)
InChIKeyZUJVTRFDVZUDFB-UHFFFAOYSA-N
MW389.51 g/mol
LogP2.37
Rot. Bonds4

About 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 9022960) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID9022960
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCc1sc2nc(CN3CCOCC3)nc(Sc3nccc(=O)[nH]3)c2c1C
InChIInChI=1S/C17H19N5O2S2/c1-10-11(2)25-15-14(10)16(26-17-18-4-3-13(23)21-17)20-12(19-15)9-22-5-7-24-8-6-22/h3-4H,5-9H2,1-2H3,(H,18,21,23)
InChIKeyZUJVTRFDVZUDFB-UHFFFAOYSA-N
XLogP2.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4817620
4-[[5,6-dimethyl-4-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 133408485
4-[[5,6-dimethyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 24566190
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-3-propylquinazolin-4-one
CID 26441666
4-[[5,6-dimethyl-4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 17454543
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
CID 4809338
N,5,6-trimethyl-N-[(4-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9113875
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
CID 37104729
4-[[5,6-dimethyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43022327
5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43025714
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 9022960) is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is Cc1sc2nc(CN3CCOCC3)nc(Sc3nccc(=O)[nH]3)c2c1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZUJVTRFDVZUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c1-10-11(2)25-15-14(10)16(26-17-18-4-3-13(23)21-17)20-12(19-15)9-22-5-7-24-8-6-22/h3-4H,5-9H2,1-2H3,(H,18,21,23).
What are the key properties of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 389.51 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 9022960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).