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

C14H16N4O — CID 3585379

IUPAC4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCN(C)c1cccc(-c2[nH]c(=O)nc3c2CCN3)c1
InChIInChI=1S/C14H16N4O/c1-18(2)10-5-3-4-9(8-10)12-11-6-7-15-13(11)17-14(19)16-12/h3-5,8H,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyVIDDJFXMFZJKBI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.47
Rot. Bonds2

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

4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 3585379) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID3585379
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCN(C)c1cccc(-c2[nH]c(=O)nc3c2CCN3)c1
InChIInChI=1S/C14H16N4O/c1-18(2)10-5-3-4-9(8-10)12-11-6-7-15-13(11)17-14(19)16-12/h3-5,8H,6-7H2,1-2H3,(H2,15,16,17,19)
InChIKeyVIDDJFXMFZJKBI-UHFFFAOYSA-N
XLogP1.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 3585379) is 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CN(C)c1cccc(-c2[nH]c(=O)nc3c2CCN3)c1.
What is the InChIKey of 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is VIDDJFXMFZJKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18(2)10-5-3-4-9(8-10)12-11-6-7-15-13(11)17-14(19)16-12/h3-5,8H,6-7H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3585379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).