N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

C16H21N5OS — CID 133407949

IUPACN-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)ncnc2s1
InChIInChI=1S/C16H21N5OS/c1-11-8-13-15(17-10-18-16(13)23-11)21-6-4-20(5-7-21)9-14(22)19-12-2-3-12/h8,10,12H,2-7,9H2,1H3,(H,19,22)
InChIKeyPXRFQLNGPDZQSQ-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.40
Rot. Bonds4

About N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133407949) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID133407949
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)ncnc2s1
InChIInChI=1S/C16H21N5OS/c1-11-8-13-15(17-10-18-16(13)23-11)21-6-4-20(5-7-21)9-14(22)19-12-2-3-12/h8,10,12H,2-7,9H2,1H3,(H,19,22)
InChIKeyPXRFQLNGPDZQSQ-UHFFFAOYSA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide (CID 133407949) is N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is Cc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)ncnc2s1.
What is the InChIKey of N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is PXRFQLNGPDZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-8-13-15(17-10-18-16(13)23-11)21-6-4-20(5-7-21)9-14(22)19-12-2-3-12/h8,10,12H,2-7,9H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133407949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).