4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one

C17H25N5O2 — CID 154753423

IUPAC4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H25N5O2/c1-5-12-8-15(23)20-14(19-12)9-18-13-6-7-24-17(13)16-10(2)21-22(4)11(16)3/h8,13,17-18H,5-7,9H2,1-4H3,(H,19,20,23)/t13-,17-/m0/s1
InChIKeyGWWNOJXSCPPFRH-GUYCJALGSA-N
MW331.42 g/mol
LogP1.30
Rot. Bonds5

About 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one (PubChem CID 154753423) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one
PubChem CID154753423
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H25N5O2/c1-5-12-8-15(23)20-14(19-12)9-18-13-6-7-24-17(13)16-10(2)21-22(4)11(16)3/h8,13,17-18H,5-7,9H2,1-4H3,(H,19,20,23)/t13-,17-/m0/s1
InChIKeyGWWNOJXSCPPFRH-GUYCJALGSA-N
XLogP1.30
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one (CID 154753423) is 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1.
What is the InChIKey of 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is GWWNOJXSCPPFRH-GUYCJALGSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-12-8-15(23)20-14(19-12)9-18-13-6-7-24-17(13)16-10(2)21-22(4)11(16)3/h8,13,17-18H,5-7,9H2,1-4H3,(H,19,20,23)/t13-,17-/m0/s1.
What are the key properties of 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 331.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154753423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).