2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine

C21H22N4OS — CID 133379383

IUPAC2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2nc(-c3ccncc3)nc3c2CCC3)CC(c2ccsc2)O1
InChIInChI=1S/C21H22N4OS/c1-14-11-25(12-19(26-14)16-7-10-27-13-16)21-17-3-2-4-18(17)23-20(24-21)15-5-8-22-9-6-15/h5-10,13-14,19H,2-4,11-12H2,1H3
InChIKeyQREQYHXJNMHHKD-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.06
Rot. Bonds3

About 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine

2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine (PubChem CID 133379383) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine
PubChem CID133379383
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2nc(-c3ccncc3)nc3c2CCC3)CC(c2ccsc2)O1
InChIInChI=1S/C21H22N4OS/c1-14-11-25(12-19(26-14)16-7-10-27-13-16)21-17-3-2-4-18(17)23-20(24-21)15-5-8-22-9-6-15/h5-10,13-14,19H,2-4,11-12H2,1H3
InChIKeyQREQYHXJNMHHKD-UHFFFAOYSA-N
XLogP4.06
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The IUPAC name of 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine (CID 133379383) is 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The canonical SMILES for 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine is CC1CN(c2nc(-c3ccncc3)nc3c2CCC3)CC(c2ccsc2)O1.
What is the InChIKey of 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
The InChIKey is QREQYHXJNMHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-14-11-25(12-19(26-14)16-7-10-27-13-16)21-17-3-2-4-18(17)23-20(24-21)15-5-8-22-9-6-15/h5-10,13-14,19H,2-4,11-12H2,1H3.
What are the key properties of 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine?
2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine has a molecular weight of 378.50 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).