2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C15H17N3O2 — CID 137174700

IUPAC2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCN(C)c1ccc(Oc2nc3c(c(=O)[nH]2)CCC3)cc1
InChIInChI=1S/C15H17N3O2/c1-18(2)10-6-8-11(9-7-10)20-15-16-13-5-3-4-12(13)14(19)17-15/h6-9H,3-5H2,1-2H3,(H,16,17,19)
InChIKeyHMYOIRWZAIWLSX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.12
Rot. Bonds3

About 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 137174700) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID137174700
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCN(C)c1ccc(Oc2nc3c(c(=O)[nH]2)CCC3)cc1
InChIInChI=1S/C15H17N3O2/c1-18(2)10-6-8-11(9-7-10)20-15-16-13-5-3-4-12(13)14(19)17-15/h6-9H,3-5H2,1-2H3,(H,16,17,19)
InChIKeyHMYOIRWZAIWLSX-UHFFFAOYSA-N
XLogP2.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 137174700) is 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CN(C)c1ccc(Oc2nc3c(c(=O)[nH]2)CCC3)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is HMYOIRWZAIWLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(2)10-6-8-11(9-7-10)20-15-16-13-5-3-4-12(13)14(19)17-15/h6-9H,3-5H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenoxy]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 137174700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).