N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C20H23N3O2 — CID 136908392

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)N(C2CC2)C2Cc3ccccc3C2)c(=O)[nH]1
InChIInChI=1S/C20H23N3O2/c1-12-18(20(25)22-13(2)21-12)11-19(24)23(16-7-8-16)17-9-14-5-3-4-6-15(14)10-17/h3-6,16-17H,7-11H2,1-2H3,(H,21,22,25)
InChIKeyLQFXCFQHXGOHEI-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.09
Rot. Bonds4

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 136908392) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID136908392
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)N(C2CC2)C2Cc3ccccc3C2)c(=O)[nH]1
InChIInChI=1S/C20H23N3O2/c1-12-18(20(25)22-13(2)21-12)11-19(24)23(16-7-8-16)17-9-14-5-3-4-6-15(14)10-17/h3-6,16-17H,7-11H2,1-2H3,(H,21,22,25)
InChIKeyLQFXCFQHXGOHEI-UHFFFAOYSA-N
XLogP2.09
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 136908392) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is Cc1nc(C)c(CC(=O)N(C2CC2)C2Cc3ccccc3C2)c(=O)[nH]1.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is LQFXCFQHXGOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12-18(20(25)22-13(2)21-12)11-19(24)23(16-7-8-16)17-9-14-5-3-4-6-15(14)10-17/h3-6,16-17H,7-11H2,1-2H3,(H,21,22,25).
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 136908392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).