(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine

C12H15N5O — CID 95841720

IUPAC(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine
SMILESCc1cc(N2CCO[C@H](c3ccn[nH]3)C2)ncn1
InChIInChI=1S/C12H15N5O/c1-9-6-12(14-8-13-9)17-4-5-18-11(7-17)10-2-3-15-16-10/h2-3,6,8,11H,4-5,7H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyKNXDAMRRUDKUSI-NSHDSACASA-N
MW245.29 g/mol
LogP1.09
Rot. Bonds2

About (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine

(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine (PubChem CID 95841720) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine
PubChem CID95841720
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine
SMILESCc1cc(N2CCO[C@H](c3ccn[nH]3)C2)ncn1
InChIInChI=1S/C12H15N5O/c1-9-6-12(14-8-13-9)17-4-5-18-11(7-17)10-2-3-15-16-10/h2-3,6,8,11H,4-5,7H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyKNXDAMRRUDKUSI-NSHDSACASA-N
XLogP1.09
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine?
The IUPAC name of (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine (CID 95841720) is (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine.
What is the SMILES notation for (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine?
The canonical SMILES for (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine is Cc1cc(N2CCO[C@H](c3ccn[nH]3)C2)ncn1.
What is the InChIKey of (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine?
The InChIKey is KNXDAMRRUDKUSI-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-6-12(14-8-13-9)17-4-5-18-11(7-17)10-2-3-15-16-10/h2-3,6,8,11H,4-5,7H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine?
(2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine has a molecular weight of 245.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(6-methylpyrimidin-4-yl)-2-(1H-pyrazol-5-yl)morpholine is sourced from PubChem (CID 95841720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).