6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide

C23H22N4O4 — CID 90390000

IUPAC6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide
SMILESCC(Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc4c(c3)CCC4)cc2)n1)C(N)=O
InChIInChI=1S/C23H22N4O4/c1-13(21(24)28)30-20-12-19(22(25)29)26-23(27-20)15-6-8-17(9-7-15)31-18-10-5-14-3-2-4-16(14)11-18/h5-13H,2-4H2,1H3,(H2,24,28)(H2,25,29)
InChIKeyBRJCYIGCAHMMPY-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.78
Rot. Bonds7

About 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide

6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 90390000) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide
PubChem CID90390000
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide
SMILESCC(Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc4c(c3)CCC4)cc2)n1)C(N)=O
InChIInChI=1S/C23H22N4O4/c1-13(21(24)28)30-20-12-19(22(25)29)26-23(27-20)15-6-8-17(9-7-15)31-18-10-5-14-3-2-4-16(14)11-18/h5-13H,2-4H2,1H3,(H2,24,28)(H2,25,29)
InChIKeyBRJCYIGCAHMMPY-UHFFFAOYSA-N
XLogP2.78
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide (CID 90390000) is 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide is CC(Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc4c(c3)CCC4)cc2)n1)C(N)=O.
What is the InChIKey of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is BRJCYIGCAHMMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-13(21(24)28)30-20-12-19(22(25)29)26-23(27-20)15-6-8-17(9-7-15)31-18-10-5-14-3-2-4-16(14)11-18/h5-13H,2-4H2,1H3,(H2,24,28)(H2,25,29).
What are the key properties of 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide?
6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 90390000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).