2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C9H12ClN3O2S — CID 87455883

IUPAC2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cl)nc2c1S(=O)(=O)CC2
InChIInChI=1S/C9H12ClN3O2S/c1-2-4-11-8-7-6(12-9(10)13-8)3-5-16(7,14)15/h2-5H2,1H3,(H,11,12,13)
InChIKeyAMRRPIOUMQIFTF-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.28
Rot. Bonds3

About 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 87455883) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID87455883
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cl)nc2c1S(=O)(=O)CC2
InChIInChI=1S/C9H12ClN3O2S/c1-2-4-11-8-7-6(12-9(10)13-8)3-5-16(7,14)15/h2-5H2,1H3,(H,11,12,13)
InChIKeyAMRRPIOUMQIFTF-UHFFFAOYSA-N
XLogP1.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 87455883) is 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CCCNc1nc(Cl)nc2c1S(=O)(=O)CC2.
What is the InChIKey of 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is AMRRPIOUMQIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-2-4-11-8-7-6(12-9(10)13-8)3-5-16(7,14)15/h2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 261.73 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,5-dioxo-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 87455883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).