N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide

C16H23N5OS — CID 2808492

IUPACN-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)NC(C)(C)C)CC3)ncnc12
InChIInChI=1S/C16H23N5OS/c1-11-9-23-13-12(11)17-10-18-14(13)20-5-7-21(8-6-20)15(22)19-16(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,22)
InChIKeyLTFFUMIEGIJWTG-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.63
Rot. Bonds1

About N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide

N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 2808492) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID2808492
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1csc2c(N3CCN(C(=O)NC(C)(C)C)CC3)ncnc12
InChIInChI=1S/C16H23N5OS/c1-11-9-23-13-12(11)17-10-18-14(13)20-5-7-21(8-6-20)15(22)19-16(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,22)
InChIKeyLTFFUMIEGIJWTG-UHFFFAOYSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide (CID 2808492) is N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide is Cc1csc2c(N3CCN(C(=O)NC(C)(C)C)CC3)ncnc12.
What is the InChIKey of N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is LTFFUMIEGIJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-9-23-13-12(11)17-10-18-14(13)20-5-7-21(8-6-20)15(22)19-16(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,22).
What are the key properties of N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide?
N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2808492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).