2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C15H27N3O2S — CID 651674

IUPAC2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCN(CCC)CCSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H27N3O2S/c1-5-7-18(8-6-2)9-10-21-15-16-13(19)12(11(3)4)14(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20)
InChIKeyMMLMUPWNUGBDFL-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.81
Rot. Bonds9

About 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 651674) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID651674
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCN(CCC)CCSc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H27N3O2S/c1-5-7-18(8-6-2)9-10-21-15-16-13(19)12(11(3)4)14(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20)
InChIKeyMMLMUPWNUGBDFL-UHFFFAOYSA-N
XLogP2.81
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 651674) is 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCCN(CCC)CCSc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MMLMUPWNUGBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-7-18(8-6-2)9-10-21-15-16-13(19)12(11(3)4)14(20)17-15/h11H,5-10H2,1-4H3,(H2,16,17,19,20).
What are the key properties of 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 313.47 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 651674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).