5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide

C17H24N4O2S — CID 133380617

IUPAC5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
SMILESCc1nc(NCC2CCC(C(N)=O)O2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C17H24N4O2S/c1-9(2)6-11-8-24-17-14(11)16(20-10(3)21-17)19-7-12-4-5-13(23-12)15(18)22/h8-9,12-13H,4-7H2,1-3H3,(H2,18,22)(H,19,20,21)
InChIKeyVQWVJKDEGPZMKE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.64
Rot. Bonds6

About 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide

5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide (PubChem CID 133380617) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
PubChem CID133380617
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
SMILESCc1nc(NCC2CCC(C(N)=O)O2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C17H24N4O2S/c1-9(2)6-11-8-24-17-14(11)16(20-10(3)21-17)19-7-12-4-5-13(23-12)15(18)22/h8-9,12-13H,4-7H2,1-3H3,(H2,18,22)(H,19,20,21)
InChIKeyVQWVJKDEGPZMKE-UHFFFAOYSA-N
XLogP2.64
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide (CID 133380617) is 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide is Cc1nc(NCC2CCC(C(N)=O)O2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
The InChIKey is VQWVJKDEGPZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-9(2)6-11-8-24-17-14(11)16(20-10(3)21-17)19-7-12-4-5-13(23-12)15(18)22/h8-9,12-13H,4-7H2,1-3H3,(H2,18,22)(H,19,20,21).
What are the key properties of 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide?
5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 133380617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).