1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one

C13H19N5O2 — CID 91776465

IUPAC1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C13H19N5O2/c19-10-5-9(6-10)11-7-12(17-8-16-11)14-1-3-18-4-2-15-13(18)20/h7-10,19H,1-6H2,(H,15,20)(H,14,16,17)
InChIKeyOMYFHIHTELNXNM-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.15
Rot. Bonds5

About 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 91776465) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
PubChem CID91776465
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C13H19N5O2/c19-10-5-9(6-10)11-7-12(17-8-16-11)14-1-3-18-4-2-15-13(18)20/h7-10,19H,1-6H2,(H,15,20)(H,14,16,17)
InChIKeyOMYFHIHTELNXNM-UHFFFAOYSA-N
XLogP0.15
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one (CID 91776465) is 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is OMYFHIHTELNXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-10-5-9(6-10)11-7-12(17-8-16-11)14-1-3-18-4-2-15-13(18)20/h7-10,19H,1-6H2,(H,15,20)(H,14,16,17).
What are the key properties of 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 91776465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).