2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol

C18H30N4O2 — CID 133496225

IUPAC2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(NC2CCCC2CCO)ncn1
InChIInChI=1S/C18H30N4O2/c23-9-7-13-3-1-5-15(13)21-17-11-18(20-12-19-17)22-16-6-2-4-14(16)8-10-24/h11-16,23-24H,1-10H2,(H2,19,20,21,22)
InChIKeySCIZJAOQFQWOIB-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.40
Rot. Bonds8

About 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol

2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol (PubChem CID 133496225) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol
PubChem CID133496225
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(NC2CCCC2CCO)ncn1
InChIInChI=1S/C18H30N4O2/c23-9-7-13-3-1-5-15(13)21-17-11-18(20-12-19-17)22-16-6-2-4-14(16)8-10-24/h11-16,23-24H,1-10H2,(H2,19,20,21,22)
InChIKeySCIZJAOQFQWOIB-UHFFFAOYSA-N
XLogP2.40
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol (CID 133496225) is 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1cc(NC2CCCC2CCO)ncn1.
What is the InChIKey of 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The InChIKey is SCIZJAOQFQWOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-9-7-13-3-1-5-15(13)21-17-11-18(20-12-19-17)22-16-6-2-4-14(16)8-10-24/h11-16,23-24H,1-10H2,(H2,19,20,21,22).
What are the key properties of 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol has a molecular weight of 334.46 g/mol, XLogP of 2.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyrimidin-4-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).