6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione

C20H29N5O3S — CID 78834966

IUPAC6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CC(=O)N2CCc3sccc3C2CC)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O3S/c1-4-6-9-25-18(21)17(19(27)22-20(25)28)23(3)12-16(26)24-10-7-15-13(8-11-29-15)14(24)5-2/h8,11,14H,4-7,9-10,12,21H2,1-3H3,(H,22,27,28)
InChIKeyGVAXJEOOSUZXQL-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.95
Rot. Bonds7

About 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione (PubChem CID 78834966) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
PubChem CID78834966
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Name6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)CC(=O)N2CCc3sccc3C2CC)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O3S/c1-4-6-9-25-18(21)17(19(27)22-20(25)28)23(3)12-16(26)24-10-7-15-13(8-11-29-15)14(24)5-2/h8,11,14H,4-7,9-10,12,21H2,1-3H3,(H,22,27,28)
InChIKeyGVAXJEOOSUZXQL-UHFFFAOYSA-N
XLogP1.95
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412491
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
ethyl 2-[[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]acetyl]amino]thiophene-3-carboxylate
CID 55499426
6-amino-1-butyl-5-[[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methylamino]pyrimidine-2,4-dione
CID 55500133
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
6-[[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-methylamino]pyridine-3-carbonitrile
CID 95580804
3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 56810240
2-[[(2R)-butan-2-yl]-[2-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]amino]acetic acid
CID 124684678
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-morpholin-2-ylethanone
CID 66428704
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione (CID 78834966) is 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)CC(=O)N2CCc3sccc3C2CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione?
The InChIKey is GVAXJEOOSUZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-4-6-9-25-18(21)17(19(27)22-20(25)28)23(3)12-16(26)24-10-7-15-13(8-11-29-15)14(24)5-2/h8,11,14H,4-7,9-10,12,21H2,1-3H3,(H,22,27,28).
What are the key properties of 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione has a molecular weight of 419.55 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 78834966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).