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

C16H20N4O — CID 91768160

IUPAC3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCc1ccccn1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H20N4O/c1-20(7-5-13-4-2-3-6-17-13)16-10-15(18-11-19-16)12-8-14(21)9-12/h2-4,6,10-12,14,21H,5,7-9H2,1H3
InChIKeyPJZCQSRYNBAVDT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.79
Rot. Bonds5

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

3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91768160) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91768160
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCc1ccccn1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C16H20N4O/c1-20(7-5-13-4-2-3-6-17-13)16-10-15(18-11-19-16)12-8-14(21)9-12/h2-4,6,10-12,14,21H,5,7-9H2,1H3
InChIKeyPJZCQSRYNBAVDT-UHFFFAOYSA-N
XLogP1.79
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91768160) is 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(CCc1ccccn1)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is PJZCQSRYNBAVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(7-5-13-4-2-3-6-17-13)16-10-15(18-11-19-16)12-8-14(21)9-12/h2-4,6,10-12,14,21H,5,7-9H2,1H3.
What are the key properties of 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 284.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91768160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).