2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol

C13H21N3O2 — CID 83184371

IUPAC2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
SMILESCc1nc(N(CCO)C2CCCC2)ncc1CO
InChIInChI=1S/C13H21N3O2/c1-10-11(9-18)8-14-13(15-10)16(6-7-17)12-4-2-3-5-12/h8,12,17-18H,2-7,9H2,1H3
InChIKeyKPYFFAVVPJYXNP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.02
Rot. Bonds5

About 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol

2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol (PubChem CID 83184371) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
PubChem CID83184371
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
SMILESCc1nc(N(CCO)C2CCCC2)ncc1CO
InChIInChI=1S/C13H21N3O2/c1-10-11(9-18)8-14-13(15-10)16(6-7-17)12-4-2-3-5-12/h8,12,17-18H,2-7,9H2,1H3
InChIKeyKPYFFAVVPJYXNP-UHFFFAOYSA-N
XLogP1.02
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclopropyl(ethyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83183763
5-(aminomethyl)-N-cyclopentyl-4-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 83189626
[2-[cyclohexylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184195
2-[(5-aminopyrimidin-2-yl)-cyclobutylamino]ethanol
CID 102859565
[4-methyl-2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]methanol
CID 83184886
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
CID 83184474
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-4-methylpyrimidin-5-yl]methanol
CID 83183846
2-[cyclopropyl-(3,6-dimethylpyrazin-2-yl)amino]ethanol
CID 65418206
2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
CID 102675262
5-(chloromethyl)-N-cycloheptyl-N,4-dimethylpyrimidin-2-amine
CID 83184574
2-[benzyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol
CID 83183770

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol (CID 83184371) is 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol is Cc1nc(N(CCO)C2CCCC2)ncc1CO.
What is the InChIKey of 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
The InChIKey is KPYFFAVVPJYXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-11(9-18)8-14-13(15-10)16(6-7-17)12-4-2-3-5-12/h8,12,17-18H,2-7,9H2,1H3.
What are the key properties of 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol?
2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 83184371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).