4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C17H21N5OS — CID 127470253

IUPAC4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCCc1cc2c(N3CCOC(C)(c4cnn(C)c4)C3)ncnc2s1
InChIInChI=1S/C17H21N5OS/c1-4-13-7-14-15(18-11-19-16(14)24-13)22-5-6-23-17(2,10-22)12-8-20-21(3)9-12/h7-9,11H,4-6,10H2,1-3H3
InChIKeyMPOCNCDOZAWWQZ-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.74
Rot. Bonds3

About 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 127470253) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID127470253
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCCc1cc2c(N3CCOC(C)(c4cnn(C)c4)C3)ncnc2s1
InChIInChI=1S/C17H21N5OS/c1-4-13-7-14-15(18-11-19-16(14)24-13)22-5-6-23-17(2,10-22)12-8-20-21(3)9-12/h7-9,11H,4-6,10H2,1-3H3
InChIKeyMPOCNCDOZAWWQZ-UHFFFAOYSA-N
XLogP2.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 127470253) is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is CCc1cc2c(N3CCOC(C)(c4cnn(C)c4)C3)ncnc2s1.
What is the InChIKey of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is MPOCNCDOZAWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-4-13-7-14-15(18-11-19-16(14)24-13)22-5-6-23-17(2,10-22)12-8-20-21(3)9-12/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 343.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 127470253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).