3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol

C10H16N4O2 — CID 91761176

IUPAC3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCO)cc(C2CC(O)C2)n1
InChIInChI=1S/C10H16N4O2/c11-10-13-8(6-3-7(16)4-6)5-9(14-10)12-1-2-15/h5-7,15-16H,1-4H2,(H3,11,12,13,14)
InChIKeyWWWRQCXOUQEUKI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.30
Rot. Bonds4

About 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91761176) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91761176
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCCO)cc(C2CC(O)C2)n1
InChIInChI=1S/C10H16N4O2/c11-10-13-8(6-3-7(16)4-6)5-9(14-10)12-1-2-15/h5-7,15-16H,1-4H2,(H3,11,12,13,14)
InChIKeyWWWRQCXOUQEUKI-UHFFFAOYSA-N
XLogP-0.30
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
3-[2-amino-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91781311
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
CID 91780839
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 91769331
3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784009
3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91779527
3-[2-amino-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777677

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol (CID 91761176) is 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCCO)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is WWWRQCXOUQEUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-10-13-8(6-3-7(16)4-6)5-9(14-10)12-1-2-15/h5-7,15-16H,1-4H2,(H3,11,12,13,14).
What are the key properties of 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 224.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91761176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).