(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide

C15H17N5O3S — CID 129101312

IUPAC(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCNC(=O)[C@@H](C)n1c(=O)[nH]c2sc(-n3cccn3)c(C)c2c1=O
InChIInChI=1S/C15H17N5O3S/c1-4-16-11(21)9(3)20-13(22)10-8(2)14(19-7-5-6-17-19)24-12(10)18-15(20)23/h5-7,9H,4H2,1-3H3,(H,16,21)(H,18,23)/t9-/m1/s1
InChIKeyDGKOGUHBTYAZDC-SECBINFHSA-N
MW347.40 g/mol
LogP0.94
Rot. Bonds4

About (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide

(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 129101312) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID129101312
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCNC(=O)[C@@H](C)n1c(=O)[nH]c2sc(-n3cccn3)c(C)c2c1=O
InChIInChI=1S/C15H17N5O3S/c1-4-16-11(21)9(3)20-13(22)10-8(2)14(19-7-5-6-17-19)24-12(10)18-15(20)23/h5-7,9H,4H2,1-3H3,(H,16,21)(H,18,23)/t9-/m1/s1
InChIKeyDGKOGUHBTYAZDC-SECBINFHSA-N
XLogP0.94
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide (CID 129101312) is (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide is CCNC(=O)[C@@H](C)n1c(=O)[nH]c2sc(-n3cccn3)c(C)c2c1=O.
What is the InChIKey of (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is DGKOGUHBTYAZDC-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-4-16-11(21)9(3)20-13(22)10-8(2)14(19-7-5-6-17-19)24-12(10)18-15(20)23/h5-7,9H,4H2,1-3H3,(H,16,21)(H,18,23)/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide?
(2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 347.40 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(5-methyl-2,4-dioxo-6-pyrazol-1-yl-1H-thieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 129101312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).