2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol

C16H26N4O2 — CID 133496246

IUPAC2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C16H26N4O2/c21-8-6-12-3-1-5-14(12)19-15-9-16(18-11-17-15)20-7-2-4-13(20)10-22/h9,11-14,21-22H,1-8,10H2,(H,17,18,19)
InChIKeyISBFDIYZJXGTJY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.40
Rot. Bonds6

About 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol

2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol (PubChem CID 133496246) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol
PubChem CID133496246
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C16H26N4O2/c21-8-6-12-3-1-5-14(12)19-15-9-16(18-11-17-15)20-7-2-4-13(20)10-22/h9,11-14,21-22H,1-8,10H2,(H,17,18,19)
InChIKeyISBFDIYZJXGTJY-UHFFFAOYSA-N
XLogP1.40
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol (CID 133496246) is 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1cc(N2CCCC2CO)ncn1.
What is the InChIKey of 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The InChIKey is ISBFDIYZJXGTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-8-6-12-3-1-5-14(12)19-15-9-16(18-11-17-15)20-7-2-4-13(20)10-22/h9,11-14,21-22H,1-8,10H2,(H,17,18,19).
What are the key properties of 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol has a molecular weight of 306.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).