3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

C18H23N3O — CID 91787252

IUPAC3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCCc1ccccc1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C18H23N3O/c1-21(9-5-8-14-6-3-2-4-7-14)18-12-17(19-13-20-18)15-10-16(22)11-15/h2-4,6-7,12-13,15-16,22H,5,8-11H2,1H3
InChIKeyUEAJQRHONNDTSR-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.78
Rot. Bonds6

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

3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787252) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787252
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(CCCc1ccccc1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C18H23N3O/c1-21(9-5-8-14-6-3-2-4-7-14)18-12-17(19-13-20-18)15-10-16(22)11-15/h2-4,6-7,12-13,15-16,22H,5,8-11H2,1H3
InChIKeyUEAJQRHONNDTSR-UHFFFAOYSA-N
XLogP2.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787252) is 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(CCCc1ccccc1)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is UEAJQRHONNDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(9-5-8-14-6-3-2-4-7-14)18-12-17(19-13-20-18)15-10-16(22)11-15/h2-4,6-7,12-13,15-16,22H,5,8-11H2,1H3.
What are the key properties of 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl(3-phenylpropyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).