7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H21N5O2 — CID 136917872

IUPAC7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nccn1[C@H](C)C(=O)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C16H21N5O2/c1-10(2)14-17-5-7-21(14)11(3)16(23)20-6-4-12-13(8-20)18-9-19-15(12)22/h5,7,9-11H,4,6,8H2,1-3H3,(H,18,19,22)/t11-/m1/s1
InChIKeyPUJFMFUZYYPNFQ-LLVKDONJSA-N
MW315.38 g/mol
LogP1.24
Rot. Bonds3

About 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136917872) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136917872
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)c1nccn1[C@H](C)C(=O)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C16H21N5O2/c1-10(2)14-17-5-7-21(14)11(3)16(23)20-6-4-12-13(8-20)18-9-19-15(12)22/h5,7,9-11H,4,6,8H2,1-3H3,(H,18,19,22)/t11-/m1/s1
InChIKeyPUJFMFUZYYPNFQ-LLVKDONJSA-N
XLogP1.24
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136917872) is 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)c1nccn1[C@H](C)C(=O)N1CCc2c(nc[nH]c2=O)C1.
What is the InChIKey of 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PUJFMFUZYYPNFQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(2)14-17-5-7-21(14)11(3)16(23)20-6-4-12-13(8-20)18-9-19-15(12)22/h5,7,9-11H,4,6,8H2,1-3H3,(H,18,19,22)/t11-/m1/s1.
What are the key properties of 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136917872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).