6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one

C14H17ClN2O2S — CID 18434017

IUPAC6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(OCC2CC2C)nc2sc(Cl)cc2c1=O
InChIInChI=1S/C14H17ClN2O2S/c1-3-4-17-13(18)10-6-11(15)20-12(10)16-14(17)19-7-9-5-8(9)2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyKVDDYCWPMBBIRE-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.56
Rot. Bonds5

About 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one

6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 18434017) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID18434017
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(OCC2CC2C)nc2sc(Cl)cc2c1=O
InChIInChI=1S/C14H17ClN2O2S/c1-3-4-17-13(18)10-6-11(15)20-12(10)16-14(17)19-7-9-5-8(9)2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyKVDDYCWPMBBIRE-UHFFFAOYSA-N
XLogP3.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one (CID 18434017) is 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1c(OCC2CC2C)nc2sc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KVDDYCWPMBBIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-3-4-17-13(18)10-6-11(15)20-12(10)16-14(17)19-7-9-5-8(9)2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one?
6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 312.82 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2-methylcyclopropyl)methoxy]-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18434017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).