2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

C16H19N5O3S — CID 137223297

IUPAC2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)N3CCC(N4CCCC4=O)CC3)csc2c(=O)[nH]1
InChIInChI=1S/C16H19N5O3S/c17-16-18-12-10(8-25-13(12)14(23)19-16)15(24)20-6-3-9(4-7-20)21-5-1-2-11(21)22/h8-9H,1-7H2,(H3,17,18,19,23)
InChIKeyHXQCUQCLVIHUMI-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one

2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137223297) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137223297
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESNc1nc2c(C(=O)N3CCC(N4CCCC4=O)CC3)csc2c(=O)[nH]1
InChIInChI=1S/C16H19N5O3S/c17-16-18-12-10(8-25-13(12)14(23)19-16)15(24)20-6-3-9(4-7-20)21-5-1-2-11(21)22/h8-9H,1-7H2,(H3,17,18,19,23)
InChIKeyHXQCUQCLVIHUMI-UHFFFAOYSA-N
XLogP0.79
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Cyclopentylamino)-3,7-diethylthieno[3,2-d]pyrimidin-4-one
CID 86280445
2-(Cyclopentylamino)-3-Ethyl-7-Ethynylthieno[3,2-D]pyrimidin-4(3h)-One
CID 118719996
2-(Cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 118719994
2-(Cyclopentylamino)-7-ethenyl-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719995
2-(Cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
CID 118719997
2-(Cyclopentylamino)-3-ethyl-7-(3-morpholin-4-ylprop-1-ynyl)thieno[3,2-d]pyrimidin-4-one
CID 118719999
3-Ethyl-7-piperidin-4-yl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729749
3-Ethyl-2-(propan-2-ylamino)-7-(1-propan-2-ylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-one
CID 118729750
7-(1-Acetylpiperidin-4-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729752
Thieno[3,2-d]pyrimidin-4(3H)-one, 7-(1-acetyl-3-piperidinyl)-3-ethyl-2-[(1-methylethyl)amino]-
CID 118729753
7-(1-Acetylpyrrolidin-3-yl)-3-ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729754
3-Ethyl-7-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729755

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137223297) is 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is Nc1nc2c(C(=O)N3CCC(N4CCCC4=O)CC3)csc2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HXQCUQCLVIHUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c17-16-18-12-10(8-25-13(12)14(23)19-16)15(24)20-6-3-9(4-7-20)21-5-1-2-11(21)22/h8-9H,1-7H2,(H3,17,18,19,23).
What are the key properties of 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 361.43 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[4-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137223297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).