3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C14H17N3O2 — CID 91767301

IUPAC3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCCc3ccco3)ncn2)C1
InChIInChI=1S/C14H17N3O2/c18-11-6-10(7-11)13-8-14(17-9-16-13)15-4-3-12-2-1-5-19-12/h1-2,5,8-11,18H,3-4,6-7H2,(H,15,16,17)
InChIKeyHMYXJLSVBMCWBC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds5

About 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91767301) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91767301
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESOC1CC(c2cc(NCCc3ccco3)ncn2)C1
InChIInChI=1S/C14H17N3O2/c18-11-6-10(7-11)13-8-14(17-9-16-13)15-4-3-12-2-1-5-19-12/h1-2,5,8-11,18H,3-4,6-7H2,(H,15,16,17)
InChIKeyHMYXJLSVBMCWBC-UHFFFAOYSA-N
XLogP1.96
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[2-(1,3-benzoxazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91761814
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
3-[6-[2-(1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788433
6-ethoxy-N-[2-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 66328978
N-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 91771725
3-[6-[2-(2H-triazol-4-ylsulfanyl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764335
3-[6-[(3-chloro-2-fluorophenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777911
2-cyclopropyl-4-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80960549
3-[6-[(8-methylimidazo[1,2-a]pyridin-3-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769908
[2-[2-(furan-2-yl)ethylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709793
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 91784963

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91767301) is 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is OC1CC(c2cc(NCCc3ccco3)ncn2)C1.
What is the InChIKey of 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is HMYXJLSVBMCWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-11-6-10(7-11)13-8-14(17-9-16-13)15-4-3-12-2-1-5-19-12/h1-2,5,8-11,18H,3-4,6-7H2,(H,15,16,17).
What are the key properties of 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 259.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(furan-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91767301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).