4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one

C14H19N5OS — CID 63606336

IUPAC4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
SMILESCCNc1nc(CN2CCNC(=O)C2C)nc2sccc12
InChIInChI=1S/C14H19N5OS/c1-3-15-12-10-4-7-21-14(10)18-11(17-12)8-19-6-5-16-13(20)9(19)2/h4,7,9H,3,5-6,8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeySELYSRQEFPBMGJ-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.44
Rot. Bonds4

About 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one

4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one (PubChem CID 63606336) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
PubChem CID63606336
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
SMILESCCNc1nc(CN2CCNC(=O)C2C)nc2sccc12
InChIInChI=1S/C14H19N5OS/c1-3-15-12-10-4-7-21-14(10)18-11(17-12)8-19-6-5-16-13(20)9(19)2/h4,7,9H,3,5-6,8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeySELYSRQEFPBMGJ-UHFFFAOYSA-N
XLogP1.44
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one (CID 63606336) is 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one is CCNc1nc(CN2CCNC(=O)C2C)nc2sccc12.
What is the InChIKey of 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one?
The InChIKey is SELYSRQEFPBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-15-12-10-4-7-21-14(10)18-11(17-12)8-19-6-5-16-13(20)9(19)2/h4,7,9H,3,5-6,8H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one?
4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one has a molecular weight of 305.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63606336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).