N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide

C20H25N3O3 — CID 51497898

IUPACN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide
SMILESCOc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(OC)n1
InChIInChI=1S/C20H25N3O3/c1-12(15-9-8-14-6-5-7-16(14)10-15)21-18(24)11-17-13(2)22-20(26-4)23-19(17)25-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,24)/t12-/m0/s1
InChIKeyVBFYONSUUNXLJC-LBPRGKRZSA-N
MW355.44 g/mol
LogP2.71
Rot. Bonds6

About N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide (PubChem CID 51497898) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide
PubChem CID51497898
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide
SMILESCOc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(OC)n1
InChIInChI=1S/C20H25N3O3/c1-12(15-9-8-14-6-5-7-16(14)10-15)21-18(24)11-17-13(2)22-20(26-4)23-19(17)25-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,24)/t12-/m0/s1
InChIKeyVBFYONSUUNXLJC-LBPRGKRZSA-N
XLogP2.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide (CID 51497898) is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide is COc1nc(C)c(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(OC)n1.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide?
The InChIKey is VBFYONSUUNXLJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12(15-9-8-14-6-5-7-16(14)10-15)21-18(24)11-17-13(2)22-20(26-4)23-19(17)25-3/h8-10,12H,5-7,11H2,1-4H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide?
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 51497898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).