3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

C14H18N6O — CID 91776065

IUPAC3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1cnccn1)c1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C14H18N6O/c1-20(8-10-7-16-2-3-17-10)13-6-12(18-14(15)19-13)9-4-11(21)5-9/h2-3,6-7,9,11,21H,4-5,8H2,1H3,(H2,15,18,19)
InChIKeyHGGLISFPBUSENW-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.72
Rot. Bonds4

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

3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91776065) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91776065
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1cnccn1)c1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C14H18N6O/c1-20(8-10-7-16-2-3-17-10)13-6-12(18-14(15)19-13)9-4-11(21)5-9/h2-3,6-7,9,11,21H,4-5,8H2,1H3,(H2,15,18,19)
InChIKeyHGGLISFPBUSENW-UHFFFAOYSA-N
XLogP0.72
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91776065) is 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1cnccn1)c1cc(C2CC(O)C2)nc(N)n1.
What is the InChIKey of 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is HGGLISFPBUSENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-20(8-10-7-16-2-3-17-10)13-6-12(18-14(15)19-13)9-4-11(21)5-9/h2-3,6-7,9,11,21H,4-5,8H2,1H3,(H2,15,18,19).
What are the key properties of 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 286.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[methyl(pyrazin-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91776065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).