3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol

C15H26N4O2 — CID 110909574

IUPAC3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H26N4O2/c1-3-15(20,4-2)12-16-9-13-10-17-14(18-11-13)19-5-7-21-8-6-19/h10-11,16,20H,3-9,12H2,1-2H3
InChIKeyBDNHOBNDGKTUAI-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.95
Rot. Bonds7

About 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol

3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol (PubChem CID 110909574) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol
PubChem CID110909574
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H26N4O2/c1-3-15(20,4-2)12-16-9-13-10-17-14(18-11-13)19-5-7-21-8-6-19/h10-11,16,20H,3-9,12H2,1-2H3
InChIKeyBDNHOBNDGKTUAI-UHFFFAOYSA-N
XLogP0.95
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
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
2-(5-methylfuran-2-yl)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]propan-2-ol
CID 111468470
3-ethyl-1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]pentan-2-ol
CID 111114925
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443
1-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425339
2-ethyl-2-[[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methylamino]methyl]butanoic acid
CID 122128913
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000274
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 87011463
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 91641613

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol (CID 110909574) is 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is BDNHOBNDGKTUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-15(20,4-2)12-16-9-13-10-17-14(18-11-13)19-5-7-21-8-6-19/h10-11,16,20H,3-9,12H2,1-2H3.
What are the key properties of 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol?
3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 294.40 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 110909574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).