3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol

C15H26N4O2 — CID 111470717

IUPAC3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
SMILESCC(C)(CCO)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H26N4O2/c1-15(2,3-6-20)12-16-9-13-10-17-14(18-11-13)19-4-7-21-8-5-19/h10-11,16,20H,3-9,12H2,1-2H3
InChIKeyKMBHDSVJNZOBPX-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.81
Rot. Bonds7

About 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol

3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol (PubChem CID 111470717) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
PubChem CID111470717
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol
SMILESCC(C)(CCO)CNCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H26N4O2/c1-15(2,3-6-20)12-16-9-13-10-17-14(18-11-13)19-4-7-21-8-5-19/h10-11,16,20H,3-9,12H2,1-2H3
InChIKeyKMBHDSVJNZOBPX-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
1-[[(2-Morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 72024778
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
4-(5-Ethylpyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 72891913
5-ethyl-N-(2-morpholin-4-ylbutyl)pyrimidin-2-amine
CID 72919733
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72935483
5-{[ethyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}pyrimidin-2-amine
CID 50971408
1-[(5-Methylpyrimidin-2-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72838276
(1-{2-[(5-Methylpyrimidin-2-yl)amino]ethyl}piperidin-4-yl)methanol
CID 72866545
(3S*,4S*)-4-methyl-1-{[2-(propylamino)pyrimidin-5-yl]methyl}piperidine-3,4-diol
CID 72866844
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
((3R*,4S*)-4-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]methyl}-1-{[2-(propylamino)pyrimidin-5-yl]methyl}pyrrolidin-3-yl)methanol
CID 72890790

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol (CID 111470717) is 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol is CC(C)(CCO)CNCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol?
The InChIKey is KMBHDSVJNZOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3-6-20)12-16-9-13-10-17-14(18-11-13)19-4-7-21-8-5-19/h10-11,16,20H,3-9,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol?
3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol has a molecular weight of 294.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111470717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).