5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one

C14H21N3OS — CID 62563777

IUPAC5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(C(C)CNC(C)C)c(=O)c2c1C
InChIInChI=1S/C14H21N3OS/c1-8(2)15-6-9(3)17-7-16-13-12(14(17)18)10(4)11(5)19-13/h7-9,15H,6H2,1-5H3
InChIKeyIPKOOOVXZUPSJN-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.63
Rot. Bonds4

About 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 62563777) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one
PubChem CID62563777
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(C(C)CNC(C)C)c(=O)c2c1C
InChIInChI=1S/C14H21N3OS/c1-8(2)15-6-9(3)17-7-16-13-12(14(17)18)10(4)11(5)19-13/h7-9,15H,6H2,1-5H3
InChIKeyIPKOOOVXZUPSJN-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one (CID 62563777) is 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(C(C)CNC(C)C)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IPKOOOVXZUPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-8(2)15-6-9(3)17-7-16-13-12(14(17)18)10(4)11(5)19-13/h7-9,15H,6H2,1-5H3.
What are the key properties of 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 279.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[1-(propan-2-ylamino)propan-2-yl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 62563777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).