5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C13H23N3O2 — CID 150858519

IUPAC5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CCN(C(C)C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-8(2)16(9(3)4)7-6-11-12(17)14-10(5)15-13(11)18/h8-9H,6-7H2,1-5H3,(H2,14,15,17,18)
InChIKeyKRMVIBAHKJCOMU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.45
Rot. Bonds5

About 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 150858519) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID150858519
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CCN(C(C)C)C(C)C)c(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-8(2)16(9(3)4)7-6-11-12(17)14-10(5)15-13(11)18/h8-9H,6-7H2,1-5H3,(H2,14,15,17,18)
InChIKeyKRMVIBAHKJCOMU-UHFFFAOYSA-N
XLogP1.45
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 150858519) is 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(CCN(C(C)C)C(C)C)c(=O)[nH]1.
What is the InChIKey of 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KRMVIBAHKJCOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)16(9(3)4)7-6-11-12(17)14-10(5)15-13(11)18/h8-9H,6-7H2,1-5H3,(H2,14,15,17,18).
What are the key properties of 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[di(propan-2-yl)amino]ethyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 150858519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).