[1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol

C16H26N4O2 — CID 111468898

IUPAC[1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H26N4O2/c1-16(12-21)4-2-3-14(16)17-9-13-10-18-15(19-11-13)20-5-7-22-8-6-20/h10-11,14,17,21H,2-9,12H2,1H3
InChIKeyITONUQNWRSYXNG-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.95
Rot. Bonds5

About [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol

[1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol (PubChem CID 111468898) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol
PubChem CID111468898
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol
SMILESCC1(CO)CCCC1NCc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C16H26N4O2/c1-16(12-21)4-2-3-14(16)17-9-13-10-18-15(19-11-13)20-5-7-22-8-6-20/h10-11,14,17,21H,2-9,12H2,1H3
InChIKeyITONUQNWRSYXNG-UHFFFAOYSA-N
XLogP0.95
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol (CID 111468898) is [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol is CC1(CO)CCCC1NCc1cnc(N2CCOCC2)nc1.
What is the InChIKey of [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol?
The InChIKey is ITONUQNWRSYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(12-21)4-2-3-14(16)17-9-13-10-18-15(19-11-13)20-5-7-22-8-6-20/h10-11,14,17,21H,2-9,12H2,1H3.
What are the key properties of [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol?
[1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol has a molecular weight of 306.41 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 111468898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).