6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione

C9H15N3O2 — CID 129499114

IUPAC6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC[C@H](C)Nc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-4-6(2)10-7-5-8(13)12(3)9(14)11-7/h5-6,10H,4H2,1-3H3,(H,11,14)/t6-/m0/s1
InChIKeyOIUDEGWYTPKGNH-LURJTMIESA-N
MW197.24 g/mol
LogP0.28
Rot. Bonds3

About 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione

6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 129499114) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID129499114
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC[C@H](C)Nc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-4-6(2)10-7-5-8(13)12(3)9(14)11-7/h5-6,10H,4H2,1-3H3,(H,11,14)/t6-/m0/s1
InChIKeyOIUDEGWYTPKGNH-LURJTMIESA-N
XLogP0.28
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione (CID 129499114) is 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione is CC[C@H](C)Nc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is OIUDEGWYTPKGNH-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-6(2)10-7-5-8(13)12(3)9(14)11-7/h5-6,10H,4H2,1-3H3,(H,11,14)/t6-/m0/s1.
What are the key properties of 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-butan-2-yl]amino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129499114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).