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

C11H19N3O2 — CID 67282636

IUPAC2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)N(Cc1nc(O)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)14(8(3)4)6-9-12-10(15)5-11(16)13-9/h5,7-8H,6H2,1-4H3,(H2,12,13,15,16)
InChIKeyVMRKKKHNGOZOLW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds4

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

2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67282636) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67282636
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)N(Cc1nc(O)cc(=O)[nH]1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)14(8(3)4)6-9-12-10(15)5-11(16)13-9/h5,7-8H,6H2,1-4H3,(H2,12,13,15,16)
InChIKeyVMRKKKHNGOZOLW-UHFFFAOYSA-N
XLogP1.09
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 67282636) is 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one is CC(C)N(Cc1nc(O)cc(=O)[nH]1)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VMRKKKHNGOZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)14(8(3)4)6-9-12-10(15)5-11(16)13-9/h5,7-8H,6H2,1-4H3,(H2,12,13,15,16).
What are the key properties of 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67282636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).