N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine

C19H26N4O2 — CID 124624146

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOC[C@H](Cc1ccccc1)N(C)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C19H26N4O2/c1-22(17(14-24-2)12-16-6-4-3-5-7-16)18-13-19(21-15-20-18)23-8-10-25-11-9-23/h3-7,13,15,17H,8-12,14H2,1-2H3/t17-/m0/s1
InChIKeyVJXGFPLVDVFPNX-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.01
Rot. Bonds7

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 124624146) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID124624146
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOC[C@H](Cc1ccccc1)N(C)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C19H26N4O2/c1-22(17(14-24-2)12-16-6-4-3-5-7-16)18-13-19(21-15-20-18)23-8-10-25-11-9-23/h3-7,13,15,17H,8-12,14H2,1-2H3/t17-/m0/s1
InChIKeyVJXGFPLVDVFPNX-KRWDZBQOSA-N
XLogP2.01
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine (CID 124624146) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine is COC[C@H](Cc1ccccc1)N(C)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is VJXGFPLVDVFPNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(17(14-24-2)12-16-6-4-3-5-7-16)18-13-19(21-15-20-18)23-8-10-25-11-9-23/h3-7,13,15,17H,8-12,14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 342.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 124624146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).