4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C16H23N5O2 — CID 67965151

IUPAC4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3c2CC(=O)N3)C1
InChIInChI=1S/C16H23N5O2/c1-4-14(23)21-6-5-10(2)12(8-21)20(3)16-11-7-13(22)19-15(11)17-9-18-16/h9-10,12H,4-8H2,1-3H3,(H,17,18,19,22)/t10-,12+/m1/s1
InChIKeyZHKMOLUNYIHVPP-PWSUYJOCSA-N
MW317.39 g/mol
LogP1.05
Rot. Bonds3

About 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 67965151) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID67965151
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3c2CC(=O)N3)C1
InChIInChI=1S/C16H23N5O2/c1-4-14(23)21-6-5-10(2)12(8-21)20(3)16-11-7-13(22)19-15(11)17-9-18-16/h9-10,12H,4-8H2,1-3H3,(H,17,18,19,22)/t10-,12+/m1/s1
InChIKeyZHKMOLUNYIHVPP-PWSUYJOCSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 67965151) is 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3c2CC(=O)N3)C1.
What is the InChIKey of 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is ZHKMOLUNYIHVPP-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-14(23)21-6-5-10(2)12(8-21)20(3)16-11-7-13(22)19-15(11)17-9-18-16/h9-10,12H,4-8H2,1-3H3,(H,17,18,19,22)/t10-,12+/m1/s1.
What are the key properties of 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 317.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(3R,4R)-4-methyl-1-propanoylpiperidin-3-yl]amino]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 67965151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).