2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol

C17H24N4O3 — CID 111468470

IUPAC2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2cnc(N3CCOCC3)nc2)o1
InChIInChI=1S/C17H24N4O3/c1-13-3-4-15(24-13)17(2,22)12-18-9-14-10-19-16(20-11-14)21-5-7-23-8-6-21/h3-4,10-11,18,22H,5-9,12H2,1-2H3
InChIKeyFDERBKSAXHKLRQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.21
Rot. Bonds6

About 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol

2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol (PubChem CID 111468470) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
PubChem CID111468470
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNCc2cnc(N3CCOCC3)nc2)o1
InChIInChI=1S/C17H24N4O3/c1-13-3-4-15(24-13)17(2,22)12-18-9-14-10-19-16(20-11-14)21-5-7-23-8-6-21/h3-4,10-11,18,22H,5-9,12H2,1-2H3
InChIKeyFDERBKSAXHKLRQ-UHFFFAOYSA-N
XLogP1.21
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol
CID 110909574
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
CID 111470717
N,N,2,2-tetramethyl-N'-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propane-1,3-diamine
CID 87011446
1-[(4-fluorophenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468365
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468364
1-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468379
(2R)-2-(5-methylfuran-2-yl)-1-[(2-methyl-3-phenylimidazol-4-yl)methylamino]propan-2-ol
CID 97002401
3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
CID 111114925
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 91641613
2-(2-chlorophenyl)-1-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]propan-2-ol
CID 126792974
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol (CID 111468470) is 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol is Cc1ccc(C(C)(O)CNCc2cnc(N3CCOCC3)nc2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol?
The InChIKey is FDERBKSAXHKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-3-4-15(24-13)17(2,22)12-18-9-14-10-19-16(20-11-14)21-5-7-23-8-6-21/h3-4,10-11,18,22H,5-9,12H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol?
2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol has a molecular weight of 332.40 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111468470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).