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

C9H12ClN3S — CID 87455320

IUPAC2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C9H12ClN3S/c1-2-4-11-8-7-6(3-5-14-7)12-9(10)13-8/h2-5H2,1H3,(H,11,12,13)
InChIKeyFUZSSVGRHVDRSM-UHFFFAOYSA-N
MW229.74 g/mol
LogP2.60
Rot. Bonds3

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

2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 87455320) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID87455320
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCCCNc1nc(Cl)nc2c1SCC2
InChIInChI=1S/C9H12ClN3S/c1-2-4-11-8-7-6(3-5-14-7)12-9(10)13-8/h2-5H2,1H3,(H,11,12,13)
InChIKeyFUZSSVGRHVDRSM-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 87455320) is 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CCCNc1nc(Cl)nc2c1SCC2.
What is the InChIKey of 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FUZSSVGRHVDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3S/c1-2-4-11-8-7-6(3-5-14-7)12-9(10)13-8/h2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 229.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 87455320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).