7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C19H26N4O3 — CID 110261607

IUPAC7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(CC1CC1)C(=O)C2
InChIInChI=1S/C19H26N4O3/c1-12-14-9-16(24)23(10-13-6-7-13)19(14)21-18(20-12)15-5-3-4-8-22(15)17(25)11-26-2/h13,15H,3-11H2,1-2H3
InChIKeyTUFWXXPXZXIOPY-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.78
Rot. Bonds5

About 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 110261607) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID110261607
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(CC1CC1)C(=O)C2
InChIInChI=1S/C19H26N4O3/c1-12-14-9-16(24)23(10-13-6-7-13)19(14)21-18(20-12)15-5-3-4-8-22(15)17(25)11-26-2/h13,15H,3-11H2,1-2H3
InChIKeyTUFWXXPXZXIOPY-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 110261607) is 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is COCC(=O)N1CCCCC1c1nc(C)c2c(n1)N(CC1CC1)C(=O)C2.
What is the InChIKey of 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is TUFWXXPXZXIOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-14-9-16(24)23(10-13-6-7-13)19(14)21-18(20-12)15-5-3-4-8-22(15)17(25)11-26-2/h13,15H,3-11H2,1-2H3.
What are the key properties of 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 358.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 110261607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).