4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C18H26N4O3 — CID 92629457

IUPAC4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc([C@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2C
InChIInChI=1S/C18H26N4O3/c1-11(2)25-10-16(24)22-8-6-5-7-14(22)17-19-12(3)13-9-15(23)21(4)18(13)20-17/h11,14H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyVXMANGKSKAGMDZ-CQSZACIVSA-N
MW346.43 g/mol
LogP1.78
Rot. Bonds4

About 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 92629457) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID92629457
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc([C@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2C
InChIInChI=1S/C18H26N4O3/c1-11(2)25-10-16(24)22-8-6-5-7-14(22)17-19-12(3)13-9-15(23)21(4)18(13)20-17/h11,14H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyVXMANGKSKAGMDZ-CQSZACIVSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 92629457) is 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc([C@H]2CCCCN2C(=O)COC(C)C)nc2c1CC(=O)N2C.
What is the InChIKey of 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VXMANGKSKAGMDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11(2)25-10-16(24)22-8-6-5-7-14(22)17-19-12(3)13-9-15(23)21(4)18(13)20-17/h11,14H,5-10H2,1-4H3/t14-/m1/s1.
What are the key properties of 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-[(2R)-1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 92629457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).