2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

C24H34N6O2S — CID 157029654

IUPAC2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(-c2cc(OCCN3CCSCC3)ccn2)nc2c1CCC2
InChIInChI=1S/C24H34N6O2S/c1-17(2)26-22(31)16-29(3)24-19-5-4-6-20(19)27-23(28-24)21-15-18(7-8-25-21)32-12-9-30-10-13-33-14-11-30/h7-8,15,17H,4-6,9-14,16H2,1-3H3,(H,26,31)
InChIKeyGBMIEZXDNROMQU-UHFFFAOYSA-N
MW470.64 g/mol
LogP2.42
Rot. Bonds9

About 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide (PubChem CID 157029654) has the molecular formula C24H34N6O2S and a molecular weight of 470.64 g/mol. Its IUPAC name is 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
PubChem CID157029654
Molecular FormulaC24H34N6O2S
Molecular Weight470.64 g/mol
Exact Mass470.25
IUPAC Name2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)c1nc(-c2cc(OCCN3CCSCC3)ccn2)nc2c1CCC2
InChIInChI=1S/C24H34N6O2S/c1-17(2)26-22(31)16-29(3)24-19-5-4-6-20(19)27-23(28-24)21-15-18(7-8-25-21)32-12-9-30-10-13-33-14-11-30/h7-8,15,17H,4-6,9-14,16H2,1-3H3,(H,26,31)
InChIKeyGBMIEZXDNROMQU-UHFFFAOYSA-N
XLogP2.42
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide (CID 157029654) is 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)c1nc(-c2cc(OCCN3CCSCC3)ccn2)nc2c1CCC2.
What is the InChIKey of 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is GBMIEZXDNROMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2S/c1-17(2)26-22(31)16-29(3)24-19-5-4-6-20(19)27-23(28-24)21-15-18(7-8-25-21)32-12-9-30-10-13-33-14-11-30/h7-8,15,17H,4-6,9-14,16H2,1-3H3,(H,26,31).
What are the key properties of 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 470.64 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 157029654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).