2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one

C11H19N3O2 — CID 136949432

IUPAC2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N[C@H](CO)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-9-13-10(5-11(16)14-9)12-8(6-15)7(2)3/h5,7-8,15H,4,6H2,1-3H3,(H2,12,13,14,16)/t8-/m1/s1
InChIKeyMJYZJRVMTQAMKI-MRVPVSSYSA-N
MW225.29 g/mol
LogP0.76
Rot. Bonds5

About 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one

2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136949432) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136949432
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
SMILESCCc1nc(N[C@H](CO)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O2/c1-4-9-13-10(5-11(16)14-9)12-8(6-15)7(2)3/h5,7-8,15H,4,6H2,1-3H3,(H2,12,13,14,16)/t8-/m1/s1
InChIKeyMJYZJRVMTQAMKI-MRVPVSSYSA-N
XLogP0.76
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one (CID 136949432) is 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is CCc1nc(N[C@H](CO)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is MJYZJRVMTQAMKI-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9-13-10(5-11(16)14-9)12-8(6-15)7(2)3/h5,7-8,15H,4,6H2,1-3H3,(H2,12,13,14,16)/t8-/m1/s1.
What are the key properties of 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one?
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136949432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).