4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine

C10H7ClN4S — CID 83191020

IUPAC4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(-c2ncccn2)nc2c1CSC2
InChIInChI=1S/C10H7ClN4S/c11-8-6-4-16-5-7(6)14-10(15-8)9-12-2-1-3-13-9/h1-3H,4-5H2
InChIKeyQJYRMDRHVAGKGD-UHFFFAOYSA-N
MW250.71 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83191020) has the molecular formula C10H7ClN4S and a molecular weight of 250.71 g/mol. Its IUPAC name is 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83191020
Molecular FormulaC10H7ClN4S
Molecular Weight250.71 g/mol
Exact Mass250.01
IUPAC Name4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(-c2ncccn2)nc2c1CSC2
InChIInChI=1S/C10H7ClN4S/c11-8-6-4-16-5-7(6)14-10(15-8)9-12-2-1-3-13-9/h1-3H,4-5H2
InChIKeyQJYRMDRHVAGKGD-UHFFFAOYSA-N
XLogP2.33
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83191020) is 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(-c2ncccn2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is QJYRMDRHVAGKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4S/c11-8-6-4-16-5-7(6)14-10(15-8)9-12-2-1-3-13-9/h1-3H,4-5H2.
What are the key properties of 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 250.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrimidin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83191020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).