[1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C13H21N3O — CID 122568898

IUPAC[1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1ncc(C)c(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-7-14-11(2)16-12(10)15-8-13(9-17)5-3-4-6-13/h7,17H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyVBKDDSXEEXGHTR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds4

About [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 122568898) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID122568898
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1ncc(C)c(NCC2(CO)CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-7-14-11(2)16-12(10)15-8-13(9-17)5-3-4-6-13/h7,17H,3-6,8-9H2,1-2H3,(H,14,15,16)
InChIKeyVBKDDSXEEXGHTR-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
5-Pyrimidinecarboxaldehyde, 2-amino-4-[[[1-(hydroxymethyl)cyclobutyl]methyl]amino]-, oxime
CID 9579086
[2-[(5-Bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol
CID 71998147
1-{2-[{[2-(Ethylamino)pyrimidin-5-yl]methyl}(methyl)amino]ethyl}cyclopentanol
CID 77083595
(1-{[(5-Isopropyl-2-methylpyrimidin-4-YL)amino]methyl}cyclopentyl)methanol
CID 124209780
N~2~-{[1-(methoxymethyl)cyclopentyl]methyl}pyrimidine-2,4-diamine
CID 124214214
[2-[[(5-Methylpyrimidin-2-yl)amino]methyl]spiro[3.3]heptan-2-yl]methanol
CID 128140099
4-Amino-2-[{[1-(hydroxymethyl)cyclopentyl]methyl}(methyl)amino]pyrimidine-5-carbonitrile
CID 129615840
[1-({Methyl[(2-methylpyrimidin-5-yl)methyl]amino}methyl)cyclobutyl]methanol formate
CID 131933778
(1-{[(5-Fluoropyrimidin-2-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 131947034
[trans-4-({[4-(Dimethylamino)-5-methylpyrimidin-2-yl]amino}methyl)cyclohexyl]methanol
CID 132425616
[1-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80832369

Frequently Asked Questions

What is the IUPAC name of [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 122568898) is [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is Cc1ncc(C)c(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is VBKDDSXEEXGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-7-14-11(2)16-12(10)15-8-13(9-17)5-3-4-6-13/h7,17H,3-6,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2,5-dimethylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 122568898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).