2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol

C15H17ClN4O2 — CID 69353192

IUPAC2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol
SMILESCN(c1nc(N)ncc1Oc1ccc(Cl)cc1)C1CCC1O
InChIInChI=1S/C15H17ClN4O2/c1-20(11-6-7-12(11)21)14-13(8-18-15(17)19-14)22-10-4-2-9(16)3-5-10/h2-5,8,11-12,21H,6-7H2,1H3,(H2,17,18,19)
InChIKeyJRKJGEXRMQNBMI-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.46
Rot. Bonds4

About 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol

2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol (PubChem CID 69353192) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol
PubChem CID69353192
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol
SMILESCN(c1nc(N)ncc1Oc1ccc(Cl)cc1)C1CCC1O
InChIInChI=1S/C15H17ClN4O2/c1-20(11-6-7-12(11)21)14-13(8-18-15(17)19-14)22-10-4-2-9(16)3-5-10/h2-5,8,11-12,21H,6-7H2,1H3,(H2,17,18,19)
InChIKeyJRKJGEXRMQNBMI-UHFFFAOYSA-N
XLogP2.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol?
The IUPAC name of 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol (CID 69353192) is 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol?
The canonical SMILES for 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol is CN(c1nc(N)ncc1Oc1ccc(Cl)cc1)C1CCC1O.
What is the InChIKey of 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol?
The InChIKey is JRKJGEXRMQNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-20(11-6-7-12(11)21)14-13(8-18-15(17)19-14)22-10-4-2-9(16)3-5-10/h2-5,8,11-12,21H,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol?
2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol has a molecular weight of 320.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 69353192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).