ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

C19H28N4O3S — CID 135159572

IUPACethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=C2CC(CN3CCOCC3)CN2C(c2nccs2)N(C)C1
InChIInChI=1S/C19H28N4O3S/c1-3-26-19(24)15-13-21(2)18(17-20-4-9-27-17)23-12-14(10-16(15)23)11-22-5-7-25-8-6-22/h4,9,14,18H,3,5-8,10-13H2,1-2H3
InChIKeyFVCREHLCSJLJNL-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.56
Rot. Bonds5

About ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate

ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 135159572) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID135159572
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Nameethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCCOC(=O)C1=C2CC(CN3CCOCC3)CN2C(c2nccs2)N(C)C1
InChIInChI=1S/C19H28N4O3S/c1-3-26-19(24)15-13-21(2)18(17-20-4-9-27-17)23-12-14(10-16(15)23)11-22-5-7-25-8-6-22/h4,9,14,18H,3,5-8,10-13H2,1-2H3
InChIKeyFVCREHLCSJLJNL-UHFFFAOYSA-N
XLogP1.56
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 135159572) is ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is CCOC(=O)C1=C2CC(CN3CCOCC3)CN2C(c2nccs2)N(C)C1.
What is the InChIKey of ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
The InChIKey is FVCREHLCSJLJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-3-26-19(24)15-13-21(2)18(17-20-4-9-27-17)23-12-14(10-16(15)23)11-22-5-7-25-8-6-22/h4,9,14,18H,3,5-8,10-13H2,1-2H3.
What are the key properties of ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate?
ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 392.53 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(morpholin-4-ylmethyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 135159572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).