(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione

C15H17N3O2 — CID 121412372

IUPAC(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c2c(c1=O)C[C@@H](c1ccccc1)N2
InChIInChI=1S/C15H17N3O2/c1-9(2)18-14(19)11-8-12(10-6-4-3-5-7-10)16-13(11)17-15(18)20/h3-7,9,12,16H,8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyUOQQCFYMRJAAHH-LBPRGKRZSA-N
MW271.32 g/mol
LogP1.83
Rot. Bonds2

About (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione

(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 121412372) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID121412372
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)[nH]c2c(c1=O)C[C@@H](c1ccccc1)N2
InChIInChI=1S/C15H17N3O2/c1-9(2)18-14(19)11-8-12(10-6-4-3-5-7-10)16-13(11)17-15(18)20/h3-7,9,12,16H,8H2,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyUOQQCFYMRJAAHH-LBPRGKRZSA-N
XLogP1.83
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione (CID 121412372) is (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione is CC(C)n1c(=O)[nH]c2c(c1=O)C[C@@H](c1ccccc1)N2.
What is the InChIKey of (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UOQQCFYMRJAAHH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9(2)18-14(19)11-8-12(10-6-4-3-5-7-10)16-13(11)17-15(18)20/h3-7,9,12,16H,8H2,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione?
(6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 271.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-phenyl-3-propan-2-yl-1,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 121412372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).