2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

C18H25N5O4S — CID 169167945

IUPAC2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCCn1c(=O)c(C(=O)CN(CC(N)=O)C(C)C)c(N)n(Cc2cccs2)c1=O
InChIInChI=1S/C18H25N5O4S/c1-4-22-17(26)15(13(24)9-21(11(2)3)10-14(19)25)16(20)23(18(22)27)8-12-6-5-7-28-12/h5-7,11H,4,8-10,20H2,1-3H3,(H2,19,25)
InChIKeyRUYAWGFUNMQXPB-UHFFFAOYSA-N
MW407.50 g/mol
LogP0.10
Rot. Bonds9

About 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 169167945) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID169167945
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCCn1c(=O)c(C(=O)CN(CC(N)=O)C(C)C)c(N)n(Cc2cccs2)c1=O
InChIInChI=1S/C18H25N5O4S/c1-4-22-17(26)15(13(24)9-21(11(2)3)10-14(19)25)16(20)23(18(22)27)8-12-6-5-7-28-12/h5-7,11H,4,8-10,20H2,1-3H3,(H2,19,25)
InChIKeyRUYAWGFUNMQXPB-UHFFFAOYSA-N
XLogP0.10
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 169167945) is 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is CCn1c(=O)c(C(=O)CN(CC(N)=O)C(C)C)c(N)n(Cc2cccs2)c1=O.
What is the InChIKey of 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is RUYAWGFUNMQXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-4-22-17(26)15(13(24)9-21(11(2)3)10-14(19)25)16(20)23(18(22)27)8-12-6-5-7-28-12/h5-7,11H,4,8-10,20H2,1-3H3,(H2,19,25).
What are the key properties of 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 407.50 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-amino-1-ethyl-2,6-dioxo-3-(thiophen-2-ylmethyl)pyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 169167945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).