(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine

C13H17N5O — CID 97226347

IUPAC(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
SMILESCn1cc([C@@]2(C)CN(c3ncccn3)CCO2)cn1
InChIInChI=1S/C13H17N5O/c1-13(11-8-16-17(2)9-11)10-18(6-7-19-13)12-14-4-3-5-15-12/h3-5,8-9H,6-7,10H2,1-2H3/t13-/m1/s1
InChIKeyZWWCXRJDJLXTPW-CYBMUJFWSA-N
MW259.31 g/mol
LogP0.96
Rot. Bonds2

About (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine

(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine (PubChem CID 97226347) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
PubChem CID97226347
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine
SMILESCn1cc([C@@]2(C)CN(c3ncccn3)CCO2)cn1
InChIInChI=1S/C13H17N5O/c1-13(11-8-16-17(2)9-11)10-18(6-7-19-13)12-14-4-3-5-15-12/h3-5,8-9H,6-7,10H2,1-2H3/t13-/m1/s1
InChIKeyZWWCXRJDJLXTPW-CYBMUJFWSA-N
XLogP0.96
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine?
The IUPAC name of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine (CID 97226347) is (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine.
What is the SMILES notation for (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine?
The canonical SMILES for (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine is Cn1cc([C@@]2(C)CN(c3ncccn3)CCO2)cn1.
What is the InChIKey of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine?
The InChIKey is ZWWCXRJDJLXTPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(11-8-16-17(2)9-11)10-18(6-7-19-13)12-14-4-3-5-15-12/h3-5,8-9H,6-7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine?
(2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine has a molecular weight of 259.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(1-methylpyrazol-4-yl)-4-pyrimidin-2-ylmorpholine is sourced from PubChem (CID 97226347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).