3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C16H22N6O — CID 91776822

IUPAC3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C)nc(CCNc2cc(C3CC(O)C3)nc(N)n2)n1
InChIInChI=1S/C16H22N6O/c1-9-5-10(2)20-14(19-9)3-4-18-15-8-13(21-16(17)22-15)11-6-12(23)7-11/h5,8,11-12,23H,3-4,6-7H2,1-2H3,(H3,17,18,21,22)
InChIKeyNAPIWIQSRJQLMK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds5

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

3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91776822) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91776822
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C)nc(CCNc2cc(C3CC(O)C3)nc(N)n2)n1
InChIInChI=1S/C16H22N6O/c1-9-5-10(2)20-14(19-9)3-4-18-15-8-13(21-16(17)22-15)11-6-12(23)7-11/h5,8,11-12,23H,3-4,6-7H2,1-2H3,(H3,17,18,21,22)
InChIKeyNAPIWIQSRJQLMK-UHFFFAOYSA-N
XLogP1.36
TPSA109.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91776822) is 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(C)nc(CCNc2cc(C3CC(O)C3)nc(N)n2)n1.
What is the InChIKey of 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is NAPIWIQSRJQLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-9-5-10(2)20-14(19-9)3-4-18-15-8-13(21-16(17)22-15)11-6-12(23)7-11/h5,8,11-12,23H,3-4,6-7H2,1-2H3,(H3,17,18,21,22).
What are the key properties of 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 314.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[2-(4,6-dimethylpyrimidin-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91776822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).